1CJB

MALARIAL PURINE PHOSPHORIBOSYLTRANSFERASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Spacegroup name	C 2 2 21
Unit cell lengths	105.490, 110.390, 173.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.196 *
Rwork	0.196
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bzy
RMSD bond length	0.006
RMSD bond angle	1.291
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.048 *	0.100 *
Total number of observations	286410 *
Number of reflections	67609
<I/σ(I)>	45	32
Completeness [%]	99.1	98.4
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	18 *	pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15-20 (mg/ml)
2	1	reservoir	PEG4000	20 (%)
3	1	reservoir	HEPES	100 (mM)