1G2P

CRYSTAL STRUCTURE OF ADENINE PHOSPHORIBOSYLTRANSFERASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	1999-07-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	I 21 21 21
Unit cell lengths	49.426, 96.670, 112.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.208 *
Rwork	0.208
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qb8
RMSD bond length	0.008
RMSD bond angle	1.433 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.041 *	0.240 *
Total number of observations	103449 *
Number of reflections	26348
<I/σ(I)>	29.6	3.8
Completeness [%]	95.5	82.8
Redundancy	3.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	18 *	lithium sulfate, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13-15 (mg/ml)
2	1	reservoir	HEPES	100 (mM)	pH7.5
3	1	reservoir	lithium sulfate	1.5 (M)