1SB8

Crystal structure of Pseudomonas aeruginosa UDP-N-acetylglucosamine 4-epimerase complexed with UDP-N-acetylgalactosamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	95
Detector technology	CCD
Collection date	2002-11-06
Detector	ADSC QUANTUM 4
Spacegroup name	C 2 2 21
Unit cell lengths	60.438, 95.877, 139.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.250 - 2.100
R-factor	0.19
Rwork	0.190
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	partially refined model of PDB entry 1SB9
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.250	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	23213
<I/σ(I)>	8.7	2.3
Completeness [%]	96.4	89.7
Redundancy	6.4	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	295	PEG 600, phosphate-citrate buffer, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K