4NSY

Wild-type lysobacter enzymogenes lysc endoproteinase covalently inhibited by TLCK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	39.579, 135.810, 45.587
Unit cell angles	90.00, 97.19, 90.00

Refinement procedure

Resolution	33.993 - 1.100
R-factor	0.1662
Rwork	0.164
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1arb
RMSD bond length	0.007
RMSD bond angle	1.198
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1520))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.600	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.107	0.952
Number of reflections	182416
<I/σ(I)>	6.2978	1.0009
Completeness [%]	95.5	83.4
Redundancy	3.3	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2M CaCl2, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K