2EVL

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	2EUK	PDB ENTRY 2EUK

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION	4.5	293	15-20% PEG 3350 or 8000, 50 mM potassium phosphate, pH 4.5, VAPOR DIFFUSION, temperature 293K

Crystal Properties
Matthews coefficient	Solvent content
2.25	45.45

Symmetry
Space Group	C 1 2 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	IMAGE PLATE	RIGAKU RAXIS HTC	mirrors	2004-09-15	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU RUH3R	1.5418

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	2.2	20	100	0.086	6.6	4.8	10918	10918

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
	2.2	2.28	100		0.39		4.7	1084

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (All)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRY 2EUK	2.2	20	10917	10917	523	99.87	0.186	0.186	0.183	0.249	RANDOM	31.776

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]
-1.98		0.05	0.75		1.29

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	32.528
r_dihedral_angle_4_deg	19.062
r_dihedral_angle_3_deg	14.117
r_dihedral_angle_1_deg	5.651
r_scangle_it	2.539
r_scbond_it	1.701
r_angle_refined_deg	1.274
r_mcangle_it	1.188
r_angle_other_deg	0.887
r_mcbond_it	0.807

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	32.528
r_dihedral_angle_4_deg	19.062
r_dihedral_angle_3_deg	14.117
r_dihedral_angle_1_deg	5.651
r_scangle_it	2.539
r_scbond_it	1.701
r_angle_refined_deg	1.274
r_mcangle_it	1.188
r_angle_other_deg	0.887
r_mcbond_it	0.807
r_symmetry_hbond_refined	0.287
r_symmetry_vdw_refined	0.252
r_nbd_refined	0.2
r_xyhbond_nbd_refined	0.187
r_nbtor_refined	0.183
r_nbd_other	0.17
r_mcbond_other	0.133
r_symmetry_vdw_other	0.126
r_nbtor_other	0.113
r_chiral_restr	0.07
r_bond_refined_d	0.011
r_gen_planes_refined	0.004
r_bond_other_d	0.001
r_gen_planes_other	0.001