4Q2K
Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-03-21 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.610, 109.340, 89.070 |
| Unit cell angles | 90.00, 93.47, 90.00 |
Refinement procedure
| Resolution | 34.984 - 2.200 |
| R-factor | 0.2089 |
| Rwork | 0.206 |
| R-free | 0.26790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yph |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.384 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (0.1.26) |
| Phasing software | PHASER (2.5.1) |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.984 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.230 |
| Rmerge | 0.086 | 0.293 |
| Number of reflections | 43580 | |
| <I/σ(I)> | 6.1 | 2.9 |
| Completeness [%] | 98.5 | 94 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 289 | 0.1M HEPES, 2M ammonium sulfate, pH 7.0, VAPOR DIFFUSION, temperature 289K |
