1TG4
Design of specific inhibitors of groupII phospholipase A2(PLA2): Crystal structure of the complex formed between russells viper PLA2 and designed peptide Phe-Leu-Ala-Tyr-Lys at 1.7A 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 | 2004-04-25 |
Detector | MARRESEARCH |
Wavelength(s) | 0.806 |
Spacegroup name | P 43 |
Unit cell lengths | 52.082, 52.082, 47.784 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.990 - 1.700 |
R-factor | 0.16887 |
Rwork | 0.167 |
R-free | 0.19603 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1skg |
RMSD bond length | 0.019 |
RMSD bond angle | 2.180 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 14203 | |
<I/σ(I)> | 16.4 | 4.4 |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 12.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2M AMMONIUM SULPHATE, 30% PEG, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |