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. * |