4P9F

E. coli McbR/YncC

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-08-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793, 0.9300
Spacegroup name	P 63
Unit cell lengths	107.581, 107.581, 72.715
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.584 - 2.099
R-factor	0.1674
Rwork	0.165
R-free	0.20860
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.003
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.584	2.140
High resolution limit [Å]	2.099	2.100
Rmerge	0.083	0.558
Number of reflections	28120
<I/σ(I)>	18.1	3
Completeness [%]	100.0	100
Redundancy	9.8	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	2 M sodium malonate