4L1G

Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase from Bacillus cereus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.817
Spacegroup name	P 41 21 2
Unit cell lengths	92.657, 92.657, 242.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.639 - 2.336
R-factor	0.1814
Rwork	0.179
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w1b
RMSD bond length	0.003
RMSD bond angle	0.758
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.387
High resolution limit [Å]	2.336	2.336
Number of reflections	45861
Completeness [%]	100.0	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	15% PEG 4000, 0.1M ammonium sulfate, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K