1ORE

Human Adenine Phosphoribosyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-08-04
Detector	MARRESEARCH
Wavelength(s)	1.4538
Spacegroup name	P 43 21 2
Unit cell lengths	58.309, 58.309, 109.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.100
R-factor	0.13514
Rwork	0.133
R-free	0.17600 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.618
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *
High resolution limit [Å]	2.100	2.100 *
Rmerge	0.040 *	0.112 *
Total number of observations	95875 *
Number of reflections	11527
Completeness [%]	99.3	97 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	291	15.0 % (V/V) glycerol, 25.5 % (w/V) polyethylene glycol 4000, 0.17 mol/L sodium acetate and 0.085 mol/L Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	glycerol	15.0 (%(v/v))
2	1	reservoir	PEG4000	25.5 (%(w/v))
3	1	reservoir	sodium acetate	0.17 (M)
4	1	reservoir	Tris-HCl	0.085 (M)	pH8.5
5	1	drop	protein	6 (mg/ml)
6	1	drop	AMP	2 (mM)
7	1	drop	Tris-HCl	20 (mM)	pH7.4
8	1	drop		5 (mM)