2PBZ

Crystal structure of an IMP biosynthesis protein PurP from Thermococcus kodakaraensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-16
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	63.342, 87.400, 175.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.000 - 2.500
R-factor	0.276
Rwork	0.276
R-free	0.30000
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.050	0.300
Number of reflections	33174
<I/σ(I)>	12.5	1
Completeness [%]	94.7	68.1
Redundancy	12	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	298	0.2M NaCl, 0.1M Na-acetate, 30% MPD, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 4.60
1		4.6	298	0.2M NaCl, 0.1M Na-acetate, 30% MPD, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 4.60