1G2Q

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	2000-02-14
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	42.661, 45.767, 53.883
Unit cell angles	95.69, 108.40, 109.58

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.199 *
Rwork	0.199
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g2p
RMSD bond length	0.006
RMSD bond angle	1.345 *
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	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.024 *	0.176 *
Total number of observations	132505 *
Number of reflections	54848
<I/σ(I)>	34.4	4.3
Completeness [%]	95.8	89.9
Redundancy	2.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5	298	PEG 5000 MME, sodium acetate, citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	100 (mM)	pH5.5
2	1	reservoir	sodium acetate	0.2 (M)
3	1	reservoir	PEG5000 MME	20 (%)