6SSC

N-acetylmuramoyl-L-alanine amidase LysC from Clostridium intestinale URNW

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97951
Spacegroup name	P 21 21 21
Unit cell lengths	37.400, 53.780, 76.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.900 - 1.210
R-factor	0.1225
Rwork	0.120
R-free	0.16070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6su5
RMSD bond length	0.018
RMSD bond angle	2.222
Data reduction software	XDS
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.900	1.230
High resolution limit [Å]	1.210	1.210
Rmerge	0.070	1.110
Number of reflections	47839	2324
<I/σ(I)>	12.1	1.3
Completeness [%]	99.8
Redundancy	5.3
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.4	293	NaKHPO4, PEG 3350