2YX5

Crystal Structure of Methanocaldococcus jannaschii PurS, One of the Subunits of Formylglycinamide Ribonucleotide Amidotransferase in the Purine Biosynthetic Pathway

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	2007-01-31
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9790
Spacegroup name	P 64 2 2
Unit cell lengths	96.251, 96.251, 48.257
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.540 - 2.300
R-factor	0.24
Rwork	0.240
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t4a
RMSD bond length	0.011
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.051	0.355
Number of reflections	6252
Completeness [%]	99.9	100
Redundancy	20.7	21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.9	293	25% 1,2-propanediol, 10% glycerol, phosphate-citrate, 5% PEG 3000, pH 4.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K