4MVN
Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-14 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.131, 81.626, 133.787 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.700 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w7s |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.129 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 85873 | |
| Completeness [%] | 96.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 0.1M HEPES, 0.2M CALCIUM CHLORIDE, 25% PEG 4000, PH 7.0, VAPOR DIFFUSION, TEMPERATURE 297K, VAPOR DIFFUSION, SITTING DROP |
