2QIA

Structural basis for the acyl chain selectivity and mechanism of UDP-N-acetylglucosamine Acyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-04-26
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 3
Unit cell lengths	97.143, 97.143, 97.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.560 - 1.740
R-factor	0.188
Rwork	0.186
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lxa
RMSD bond length	0.007
RMSD bond angle	1.096
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.740	3.750	1.740
Rmerge	0.047	0.034	0.178
Number of reflections	30085
<I/σ(I)>	35.5
Completeness [%]	95.1	94.7	93.1
Redundancy	3.3	3.2	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	0.8-1.4 Na/K phosphate, pH 5.6-6.3, 30%-35% Dimethyl Sulfoxide(DMSO), VAPOR DIFFUSION, HANGING DROP, temperature 291K