5NFM

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

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)	0.722307
Spacegroup name	P 21 21 21
Unit cell lengths	30.752, 32.159, 62.575
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.425 - 0.800
R-factor	0.1222
Rwork	0.122
R-free	0.13200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nfk
RMSD bond length	0.032
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.160	0.810
High resolution limit [Å]	0.800	0.800
Rmerge	0.084	0.856
Rmeas	0.091	0.927
Rpim	0.034	0.352
Number of reflections	66196
<I/σ(I)>	15	2.4
Completeness [%]	99.9	99
Redundancy	7	6.8
CC(1/2)	0.999	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		277	0.7 M lithium sulfate 0.02 M copper acetate 0.1 M Tris-HCl, pH 8.5