4MPH

Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.282
Spacegroup name	I 2 2 2
Unit cell lengths	76.831, 112.337, 125.666
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.308 - 2.030
R-factor	0.1511
Rwork	0.149
R-free	0.18940
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	0.991
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.060
High resolution limit [Å]	2.030	2.030
Number of reflections	35417
<I/σ(I)>	32.11	4.23
Completeness [%]	99.8	96.9
Redundancy	11.8	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	30% PEG 4K, 0.2 M ammonium acetate, 0.1 M sodium acetate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K