5MBS

Crystal structure of Bacillus subtilis EngA in space group P21

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	2015-06-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	50.920, 64.150, 62.010
Unit cell angles	90.00, 96.39, 90.00

Refinement procedure

Resolution	61.620 - 3.200
R-factor	0.2277
Rwork	0.220
R-free	0.37252
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dcu
RMSD bond length	0.009
RMSD bond angle	1.337
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.620	3.280
High resolution limit [Å]	3.200	3.200
Rmerge		0.744
Number of reflections	6572
<I/σ(I)>	9.69	1.67
Completeness [%]	98.5	96.5
Redundancy	3.27	3.21
CC(1/2)	0.996	0.497

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.5 M sodium sulfate 0.1 M Tris pH 6.5 16% PEG 3350