6BFP
Bovine trypsin bound to potent inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.127131 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.510, 58.330, 66.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.411 - 1.292 |
R-factor | 0.1296 |
Rwork | 0.129 |
R-free | 0.14130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xoj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.283 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.410 | 1.360 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmerge | 0.048 | 0.147 |
Rpim | 0.025 | 0.079 |
Number of reflections | 53667 | 7780 |
<I/σ(I)> | 17.7 | 8.7 |
Completeness [%] | 99.0 | 100 |
Redundancy | 4.5 | 4.3 |
CC(1/2) | 0.998 | 0.975 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 296 | 0.1 M Tris pH 8.0 31 % PEG 10,000 |