3G8F

Crystal structure of the complex formed between a group II phospholipase A2 and designed peptide inhibitor carbobenzoxy-dehydro-val-ala-arg-ser at 1.2 A resolution

Replaces:  1TJQ

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	2003-05-05
Detector	MARRESEARCH
Wavelength(s)	0.803
Spacegroup name	P 43
Unit cell lengths	52.561, 52.561, 47.883
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.360 - 1.250
R-factor	0.187
Rwork	0.187
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1skg
RMSD bond length	0.010
RMSD bond angle	1.856
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5)

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	35175
<I/σ(I)>	20.5	2.3
Completeness [%]	100.0	100
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.2M AMMONIUM SULPHATE, 30% PEG, CaCl2, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K