4H4J

Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.15 A resolution

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-16
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	46.349, 63.713, 72.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.666 - 1.150
R-factor	0.1323
Rwork	0.131
R-free	0.16400
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.756
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.666	28.670	1.190
High resolution limit [Å]	1.150	2.480	1.150
Rmerge	0.067	0.045	0.883
Number of reflections	71198	14598	8700
<I/σ(I)>	12.95	34.9	1.84
Completeness [%]	92.1	98.4	60.2
Redundancy			13.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	30.0% polyethylene glycol 1500, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K