3T57

Activity and Crystal Structure of Arabidopsis UDP-N-acetylglucosamine acyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-12
Detector	MAR CCD 165 mm
Wavelength(s)	1.00000
Spacegroup name	P 63 2 2
Unit cell lengths	86.195, 86.195, 200.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.880 - 2.100
R-factor	0.2085
Rwork	0.207
R-free	0.24075
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lxa
RMSD bond length	0.009
RMSD bond angle	1.163
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.110
Number of reflections	26374
<I/σ(I)>	21.4
Completeness [%]	99.6	96.4	100
Redundancy	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.5 M ammonium sulfate, 0.1 M sodium citrate(pH 5.6), 1.0 M lithium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K