6EC3

Crystal Structure of EvdMO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.918
Spacegroup name	I 41 2 2
Unit cell lengths	191.633, 191.633, 269.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.641 - 3.350
R-factor	0.2229
Rwork	0.221
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t38 3bus
RMSD bond length	0.002
RMSD bond angle	0.575
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.410
High resolution limit [Å]	3.350	9.080	3.350
Rmerge	0.063	0.027	0.926
Rmeas	0.068	0.030	0.998
Rpim	0.024	0.011	0.361
Total number of observations	248070
Number of reflections	34942	1730	1759
<I/σ(I)>	13.2
Completeness [%]	96.1	87.6	98.8
Redundancy	7.1	6.8	7.1
CC(1/2)		0.999	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	22% PEG3350, 200 mM Li2SO4, 100 mM Bis-Tris