2P53

Crystal structure of N-acetyl-D-glucosamine-6-phosphate deacetylase D273N mutant complexed with N-acetyl phosphonamidate-d-glucosamine-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98000
Spacegroup name	P 31 2 1
Unit cell lengths	81.399, 81.399, 206.452
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.850 - 2.100
R-factor	0.205
Rwork	0.205
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ymy
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.100
Rmerge	0.049
Number of reflections	45044
Completeness [%]	95.4
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	12% PEG 3350, 0.1M Hepes, 1mM Zn, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K