4AUC
Bovine chymosin in complex with Pepstatin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 93.500, 93.500, 89.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.388 - 1.600 |
| R-factor | 0.1754 |
| Rwork | 0.174 |
| R-free | 0.19710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cms |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.249 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 0.390 |
| Number of reflections | 59710 | |
| <I/σ(I)> | 27 | 5.5 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 8.7 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | RESERVOIR: 75 MM BIS-TRIS PH 5.5, 0.15 M NACL, 19% (W/V) PEG3350, 7.5 MM CDCL2. SAMPLE: 7.2 MG/ML OF PROTEIN COMPLEX IN 10 MM NAH2PO4 PH 6 |
