4XVO

L,D-transpeptidase from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	92.390, 160.047, 209.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.281 - 2.600
R-factor	0.1999
Rwork	0.198
R-free	0.23800
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.725
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.104	0.052	0.969
Rmeas	0.110	0.056
Rpim	0.043	0.022	0.424
Total number of observations	307944
Number of reflections	47865
<I/σ(I)>	9		1.94
Completeness [%]	98.4	99.7	95.8
Redundancy	6.4	6.3	5.7
CC(1/2)		0.994	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	1M sodium/potassium phosphate buffer