4S3K

Crystal structure of the Bacillus megaterium QM B1551 spore cortex-lytic enzyme SleL

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	2014-03-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	63.439, 80.496, 90.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.248 - 1.700
R-factor	0.1679
Rwork	0.167
R-free	0.18440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.864
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.630	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.087	0.725
Number of reflections	51055
<I/σ(I)>	11.6	2.1
Completeness [%]	99.4	98.6
Redundancy	5	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.2 M sodium sulfate, 20% (w/v) PEG 3,350, VAPOR DIFFUSION, SITTING DROP, temperature 292K