3V7N

Crystal structure of Threonine synthase (thrC) from from Burkholderia thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033180
Spacegroup name	P 21 21 21
Unit cell lengths	55.560, 90.240, 98.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.400
R-factor	0.161
Rwork	0.160
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kl7
RMSD bond length	0.017
RMSD bond angle	1.767
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]	50.000	50.000	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.064	0.034	0.567
Number of reflections	97539	1177	7165
<I/σ(I)>	14.74	34.9	2.8
Completeness [%]	99.3	95.3	99.7
Redundancy	4.84		4.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	290	EBS internal tracking number 225991F9: Wizard3/4 F9. 25% PEG 1500, 0.1 M MIB buffer/HCl pH 5.0. ButhA.00545.a.A1 PW33400 at 44.8 mg/mL, vapor diffusion, sitting drop, temperature 290K