4WBJ

Crystal structure of Bradyrhizobium japonicum ScoI in the oxidized state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2014-08-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	38.776, 82.629, 45.853
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	45.800 - 1.300
R-factor	0.106
Rwork	0.104
R-free	0.14180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4txo
RMSD bond length	0.022
RMSD bond angle	2.051
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.800		1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.039	0.026	0.151
Rmeas	0.042	0.028	0.163
Total number of observations	460789
Number of reflections	65098	802	4381
<I/σ(I)>	28.35	67.45	9.94
Completeness [%]	91.9	96.9	83.6
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.1M SPG, 25% PEG15000