4Q5K

Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.30 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	49.471, 60.930, 80.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.061 - 1.300
R-factor	0.1173
Rwork	0.116
R-free	0.14940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h4j
RMSD bond length	0.011
RMSD bond angle	1.372
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]	40.061	40.061	1.350
High resolution limit [Å]	1.300	2.800	1.300
Rmerge	0.039	0.019	0.558
Number of reflections	60273	6319	6373
<I/σ(I)>	20.41	56.9	2.54
Completeness [%]	99.9	99.3	99.9
Redundancy	3.99		3.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	29% polyethylene glycol 4000, 0.1mM Tris pH8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K