5R4D
Crystal Structure of gamma-Chymotrypsin at pH 9, cryo temperature
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 69.067, 69.067, 95.803 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.030 - 1.050 |
| R-factor | 0.123 |
| Rwork | 0.122 |
| R-free | 0.14000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1gct |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.648 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.090 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.063 | 0.766 |
| Number of reflections | 107355 | |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 99.2 | 93.8 |
| Redundancy | 16.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 45% saturated ammonium sulfate, 0.75% saturated cetyltrimethylammonium bromide, 100 mM sodium iodide; sodium malonate |
