3UW3

Crystal Structure of an Aspartate-Semialdehyde Dehydrogenase from Burkholderia Thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-10-28
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97586
Spacegroup name	P 21 21 21
Unit cell lengths	76.450, 103.100, 106.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.480 - 1.550
R-factor	0.152
Rwork	0.151
R-free	0.17300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mb4
RMSD bond length	0.010
RMSD bond angle	1.427
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.480		1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.058	0.029	0.421
Number of reflections	122928	1492	8996
<I/σ(I)>	19.05	36.2	4.7
Completeness [%]	99.9	95.9	100
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	290	Internal tracking number 226078. Wizard 3/4 well F8. 0.1M MMT Buffer/NaOH pH 9.0, 25% w/v PEG1500, 20% Ethylene Glycol for Cryo. ButhA.17885.a.A1 PS01196 CR_24 58.0mg/ml., vapor diffusion, sitting drop, temperature 290K