Experiment: 1O6E

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	1FL1	PDB ENTRY 1FL1

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	4.6		HANGING DROP METHOD USING A RESERVOIR SOLUTION OF 1.25 - 1.5 M SODIUM FORMATE,100 MM SODIUM CITRATE PH4.6 5 MM EDTA, PROTEIN IN 100 MM NACL 20 MM THRIS-HCL PH 7.5 1 MM EDTA 10 MM BETA-MERCAPTOETHANOL

Crystal Properties
Matthews coefficient	Solvent content
2.57	52

Symmetry
Space Group	P 31 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	CCD	ADSC CCD	TOROIDAL MIRROR	2001-06-15	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	ESRF BEAMLINE ID14-4		ESRF	ID14-4

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	2.3	45.2	98.1	0.081	5.2	5.4		132854			56.8

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)
1	2.3	2.38	89.9		0.319	2.3	3.2

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	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	PDB ENTRY 1FL1	2.3	42	24212	1149	98.1	0.197	0.197	0.273	RANDOM	66.1

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]
-8.95	-7.3		-8.95		17.9

RMS Deviations
Key	Refinement Restraint Deviation
c_dihedral_angle_d	24.2
c_mcangle_it	5.02
c_scangle_it	4.77
c_scbond_it	3
c_mcbond_it	2.93
c_angle_deg	1.7
c_improper_angle_d	1.2
c_bond_d	0.01
c_bond_d_na
c_bond_d_prot

RMS Deviations
Key	Refinement Restraint Deviation
c_dihedral_angle_d	24.2
c_mcangle_it	5.02
c_scangle_it	4.77
c_scbond_it	3
c_mcbond_it	2.93
c_angle_deg	1.7
c_improper_angle_d	1.2
c_bond_d	0.01
c_bond_d_na
c_bond_d_prot
c_angle_d
c_angle_d_na
c_angle_d_prot
c_angle_deg_na
c_angle_deg_prot
c_dihedral_angle_d_na
c_dihedral_angle_d_prot
c_improper_angle_d_na
c_improper_angle_d_prot