2BLW
Trypsin after a high dose X-ray "Burn"
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.162, 58.253, 66.582 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.200 |
| R-factor | 0.108 |
| Rwork | 0.107 |
| R-free | 0.13000 |
| Structure solution method | OTHER |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.632 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.300 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.050 | 0.140 |
| Number of reflections | 122363 | |
| <I/σ(I)> | 12.15 | 5.75 |
| Completeness [%] | 96.1 | 94 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
