1V2H

Crystal structure of human PNP complexed with guanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	104
Detector technology	CCD
Collection date	2003-04-16
Detector	MARRESEARCH
Wavelength(s)	1.431
Spacegroup name	H 3 2
Unit cell lengths	141.070, 141.070, 162.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.700
R-factor	0.218
Rwork	0.218
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m73
RMSD bond length	0.013
RMSD bond angle	24.900 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.800 *	2.850
High resolution limit [Å]	2.600 *	2.700
Rmerge	0.070 *	0.371 *
Number of reflections	18226
<I/σ(I)>	7.5	1.3
Completeness [%]	91.0	96
Redundancy	5.5	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1 *	25 *	pH 5.30, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PNP	13 (mg/ml)
2	1	drop	potassium phosphate	10 (mM)	pH7.1
3	1	reservoir	ammonium sulfate	19 (%sat)
4	1	reservoir	citrate	0.05 (M)	pH5.3