5MKD

Crystal structure of Bacillus subtilis Ywea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.93
Spacegroup name	C 2 2 2
Unit cell lengths	121.405, 128.306, 84.327
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 2.510
R-factor	0.2092
Rwork	0.208
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.598
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.270	2.600
High resolution limit [Å]	2.510	2.510
Rmerge	0.067	0.915
Rmeas	0.082	1.132
Rpim	0.035	0.483
Number of reflections	22769
<I/σ(I)>	16.1	1.6
Completeness [%]	99.5	97.4
Redundancy	5.2	5.2
CC(1/2)	0.999	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	See manuscript