1TG1

Crystal Structure of the complex formed between russells viper phospholipase A2 and a designed peptide inhibitor PHQ-Leu-Val-Arg-Tyr at 1.2A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	200
Detector technology	CCD
Collection date	2004-05-06
Detector	MARRESEARCH
Wavelength(s)	0.981
Spacegroup name	P 43
Unit cell lengths	52.496, 52.496, 47.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.360 - 1.250
R-factor	0.1884
Rwork	0.188
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1skg
RMSD bond length	0.013
RMSD bond angle	2.026
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.270
High resolution limit [Å]	1.200	1.200
Number of reflections	35174
<I/σ(I)>	20.1	2.2
Completeness [%]	100.0	99.4
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2M AMMONIUM SULPHATE, 30% PEG, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K