1T8L
CRYSTAL STRUCTURE OF THE P1 MET BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
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 | 1999-06-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9312 |
Spacegroup name | P 61 |
Unit cell lengths | 99.520, 99.520, 205.380 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.940 - 1.750 |
R-factor | 0.181 |
Rwork | 0.180 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p2n |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.084 | 0.273 |
Number of reflections | 98034 | |
<I/σ(I)> | 5.4 | 2.2 |
Completeness [%] | 85.3 | 81.9 |
Redundancy | 2.7 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K |