1VDM

Crystal structure of purine phosphoribosyltransferase from Pyrococcus horikoshii Ot3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-09-25
Detector	RIGAKU RAXIS V
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	105.603, 157.350, 170.631
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.550 - 2.500
R-factor	0.211
Rwork	0.209
R-free	0.24100
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.129	0.785
Number of reflections	99412
<I/σ(I)>	8	3.23
Completeness [%]	100.0	100
Redundancy	7.3	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.4	291	NaCl, pH 4.4, microbatch, temperature 291K
1	MICROBATCH	4.4	291	NaCl, pH 4.4, microbatch, temperature 291K
1	MICROBATCH	4.4	291	NaCl, pH 4.4, microbatch, temperature 291K