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: 1TJQExperimental 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 |
