4AA8
Bovine chymosin at 1.8A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-19 |
| Detector | MARRESEARCH MAR165 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 71.610, 79.170, 113.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.554 - 1.801 |
| R-factor | 0.1789 |
| Rwork | 0.177 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cms |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.032 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.500 |
| Number of reflections | 30113 | |
| <I/σ(I)> | 19 | 4.8 |
| Completeness [%] | 99.7 | 99 |
| Redundancy | 8.1 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | RESERVOIR: 1.5 M NACL, 100 MM NAH2PO4, PH 5.5. SAMPLE: 30 MG/ML PROTEIN IN 50 MM NAH2PO4, PH 6.0. |
