4INK
Crystal structure of SplD protease from Staphylococcus aureus at 1.56 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.542 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 175.560, 175.560, 175.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.560 |
| R-factor | 0.18044 |
| Rwork | 0.179 |
| R-free | 0.21017 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w7s |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.467 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.760 | 1.650 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.053 | 0.255 |
| Number of reflections | 32697 | |
| <I/σ(I)> | 15.6 | 4.1 |
| Completeness [%] | 98.2 | 94.9 |
| Redundancy | 7.1 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30-33% PEG2000 MME, 0.1-0.5 M potassium thiocyanate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
