Experiment: 4GTM

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	3EU5

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	20% (w/v) PEG 4000, 0.2M MgCl2, 0.1M Tris , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystal Properties
Matthews coefficient	Solvent content
3.31	62.87

Symmetry
Space Group	P 61

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	MARMOSAIC 225 mm CCD		2009-12-12	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SLS BEAMLINE X10SA	0.9789	SLS	X10SA

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Sym 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	19.94	99.9	0.06	20.9	6.2	61233	61202			39.4

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.2	2.26	100		0.38	4.6	6.1

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 (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	3EU5	2.2	19.94	61233	58071	3045	99.97	0.17552	0.1733	0.21782	RANDOM	31.53

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]
0.85	0.42		0.85		-1.27

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	35.729
r_dihedral_angle_4_deg	19.168
r_dihedral_angle_3_deg	15.825
r_dihedral_angle_1_deg	5.667
r_angle_other_deg	4.145
r_mcbond_other	3.843
r_scangle_it	3.676
r_scbond_it	2.245
r_mcangle_it	1.999
r_angle_refined_deg	1.41

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	35.729
r_dihedral_angle_4_deg	19.168
r_dihedral_angle_3_deg	15.825
r_dihedral_angle_1_deg	5.667
r_angle_other_deg	4.145
r_mcbond_other	3.843
r_scangle_it	3.676
r_scbond_it	2.245
r_mcangle_it	1.999
r_angle_refined_deg	1.41
r_mcbond_it	1.103
r_symmetry_vdw_refined	0.347
r_xyhbond_nbd_refined	0.266
r_nbd_refined	0.251
r_nbd_other	0.247
r_symmetry_vdw_other	0.245
r_symmetry_hbond_refined	0.21
r_nbtor_refined	0.181
r_nbtor_other	0.107
r_chiral_restr	0.086
r_bond_refined_d	0.014
r_gen_planes_other	0.008
r_gen_planes_refined	0.006
r_bond_other_d