4AUP
Tuber borchii Phospholipase A2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR555 FLAT PANEL |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.498, 66.837, 117.384 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.410 - 1.900 |
| R-factor | 0.21279 |
| Rwork | 0.210 |
| R-free | 0.27348 |
| Structure solution method | SIRAS |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.907 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.590 |
| Number of reflections | 22164 | |
| <I/σ(I)> | 6.9 | 1.85 |
| Completeness [%] | 93.6 | 92.5 |
| Redundancy | 2.9 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 2.0 M AMMONIUM SULPHATE, 0.1 M HEPES, PH 7.5 2% PEG 200 |
