5BMQ

Crystal structure of L,D-transpeptidase (Yku) from Stackebrandtia nassauensis

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	2013-04-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97899
Spacegroup name	I 21 3
Unit cell lengths	143.356, 143.356, 143.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.080 - 2.050
R-factor	0.1549
Rwork	0.154
R-free	0.17810
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.949
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.077	0.035	0.860
Total number of observations	225239
Number of reflections	30882
<I/σ(I)>	12.7
Completeness [%]	99.7	94.7	100
Redundancy	7.3	6.6	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	1.6 M ammonium sulfate, 0.1 M MES, pH 6.5, 10% dioxane