1T8N
CRYSTAL STRUCTURE OF THE P1 THR 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 | 99.960, 99.960, 205.360 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.980 - 1.750 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.21400 |
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 | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.076 | 0.447 |
Number of reflections | 112475 | |
<I/σ(I)> | 6.5 | 2 |
Completeness [%] | 96.6 | 81.7 |
Redundancy | 2.6 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 50% AMMONIUM SULFATE, 0.1M TRIS, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |