1H53

Binding of Phosphate and Pyrophosphate ions at the active site of human Angiogenin as revealed by X-ray Crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	287
Collection date	1998-09-15
Spacegroup name	P 21 21 2
Unit cell lengths	85.383, 37.538, 38.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.198
Rwork	0.198
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b1i
RMSD bond length	0.010
RMSD bond angle	27.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.101 *
Total number of observations	45669 *
Number of reflections	8677
<I/σ(I)>	6.4
Completeness [%]	97.8	85.6
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.2	16 *	20MM SODIUM CITRATE, 0.2M SODIUM POTASSIUM TARTARATE, 10% PEG 6000 PH 5.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	20 (mM)
2	1	reservoir	sodium potassium tartrate	0.2 (M)
3	1	reservoir	PEG6000	10 (%)