5J4Q
alpha-chymotrypsin from bovine pancreas in complex with Bowman-Birk inhibitor from soybean
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-11 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54179 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 76.163, 79.280, 51.529 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.568 - 2.303 |
R-factor | 0.2129 |
Rwork | 0.210 |
R-free | 0.26730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gl0 1k9b |
RMSD bond length | 0.009 |
RMSD bond angle | 1.174 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.568 | 2.386 |
High resolution limit [Å] | 2.303 | 2.303 |
Rmerge | 0.099 | 0.736 |
Number of reflections | 14141 | |
<I/σ(I)> | 12.9 | 1.82 |
Completeness [%] | 98.0 | 100 |
Redundancy | 4.1 | 4 |
CC(1/2) | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 12%(w/v) PEG 20000, 0.1M MES, pH6.5 |