5NFL

Crystal structure of YrbA from Sinorhizobium meliloti in complex with cobalt.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979760
Spacegroup name	P 21 21 21
Unit cell lengths	30.802, 31.944, 62.741
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.370 - 1.903
R-factor	0.1335
Rwork	0.133
R-free	0.14990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nfk
RMSD bond length	0.012
RMSD bond angle	1.288
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.940	2.010
High resolution limit [Å]	1.900	1.900
Rmerge	0.142	0.447
Rmeas	0.153	0.487
Rpim	0.054	0.186
Number of reflections	5140
<I/σ(I)>	15	5.7
Completeness [%]	98.4	89.3
Redundancy	7.5	6.3
CC(1/2)	0.995	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		277	1.0 M lithium sulfate 0.01 M cobalt chloride 0.1 M Tris-HCl, pH 8.5