1K6U
Crystal Structure of Cyclic Bovine Pancreatic Trypsin Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-07-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.92 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 51.904, 51.904, 42.896 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.000 |
R-factor | 0.112 * |
Rwork | 0.118 |
R-free | 0.16300 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g6x |
RMSD bond length | 0.017 * |
RMSD bond angle | 2.080 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.040 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.070 * | |
Total number of observations | 728960 * | |
Number of reflections | 32347 * | |
<I/σ(I)> | 9.2 | |
Completeness [%] | 99.9 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 2M Ammonium sulfate, 2% PEG 400, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |