4WBR

Structure of Bradyrhizobium japonicum ScoI with copper bound

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	2014-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	92.860, 44.760, 40.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.000 - 1.400
R-factor	0.1283
Rwork	0.126
R-free	0.17530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4txo
RMSD bond length	0.021
RMSD bond angle	2.012
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]	46.000		1.430
High resolution limit [Å]	1.400	6.250	1.400
Rmerge	0.099	0.035	0.763
Rmeas	0.103	0.037	0.809
Total number of observations	378601
Number of reflections	30788	450	1380
<I/σ(I)>	17.04	46.62	2.33
Completeness [%]	91.2	98.7	55.9
Redundancy	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M Na-citrate, 20% PEG 6000