4Q68

Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.07 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-18
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	46.473, 63.552, 73.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.355 - 1.070
R-factor	0.1117
Rwork	0.110
R-free	0.13770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h4j
RMSD bond length	0.009
RMSD bond angle	1.362
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.470	46.470	1.110
High resolution limit [Å]	1.070	2.300	1.070
Rmerge	0.034	0.016	0.340
Number of reflections	93219	10144	8518
<I/σ(I)>	22.87	64.9	3
Completeness [%]	95.9	99.1	85
Redundancy	3.93		2.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	30.00% polyethylene glycol 1500, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K