4IZO

Crystal structure of kinase Phosphoribosylaminoimidazole carboxylase, ATPase subunit from Burkholderia thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.127092
Spacegroup name	P 61 2 2
Unit cell lengths	53.930, 53.930, 465.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.390 - 1.850
R-factor	0.1837
Rwork	0.182
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e4t
RMSD bond length	0.014
RMSD bond angle	1.518
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.071	0.053	0.132
Number of reflections	35480	512	2336
<I/σ(I)>	35.1	36.25	19.34
Completeness [%]	97.2	86.1	90.4
Redundancy	18.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	EB JCSG screen a9: 200mM Ammonium chloride, 20% PEG 3350 PEG 1500; ButhA.00036.a.A1.PS01171 at 20 mg/ml, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K