1TJ9
Structure of the complexed formed between group II phospholipase A2 and a rationally designed tetra peptide,Val-Ala-Arg-Ser at 1.1A 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 | 2004-05-02 |
Detector | MARRESEARCH |
Wavelength(s) | 0.806 |
Spacegroup name | P 43 |
Unit cell lengths | 52.513, 52.513, 48.037 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.000 - 1.100 |
R-factor | 0.18707 |
Rwork | 0.187 |
R-free | 0.20896 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1skg |
RMSD bond length | 0.011 |
RMSD bond angle | 1.646 |
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 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Number of reflections | 53031 | |
<I/σ(I)> | 22.5 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 15.3 |
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 298.0K |