1YRR

Crystal Structure Of The N-Acetylglucosamine-6-Phosphate Deacetylase From Escherichia Coli K12 at 2.0 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-01-28
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 2
Unit cell lengths	82.157, 114.554, 80.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.161
Rwork	0.159
R-free	0.19900
Structure solution method	SIRAS
Starting model (for MR)	EXPERIMENTAL PHASES FROM AN IODINE SOAKED CRYSTAL
RMSD bond length	0.022
RMSD bond angle	1.887
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.220
Number of reflections	50702
<I/σ(I)>	14.1	4.27
Completeness [%]	97.7	99.3
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4	293	sodium dihydrogenophosphate hydrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 4.00
1		4	293	sodium dihydrogenophosphate hydrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 4.00
1		4	293	sodium dihydrogenophosphate hydrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 4.00