1BHC
BOVINE PANCREATIC TRYPSIN INHIBITOR CRYSTALLIZED FROM THIOCYANATE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 292 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.560, 73.830, 64.470 |
| Unit cell angles | 90.00, 93.91, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.700 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6pti |
| RMSD bond length | 0.015 |
| RMSD bond angle | 25.800 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.590 | 2.710 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.055 | 0.186 |
| Total number of observations | 69959 * | |
| Number of reflections | 18308 | |
| <I/σ(I)> | 11.1 | 4.1 |
| Completeness [%] | 85.5 | 13.4 |
| Redundancy | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | other * | 4.5 | Lafont, S., (1997) J. Crystal Growth, 173, 132. * |
