2P8O
Crystal Structure of a Benzohydroxamic Acid/Vanadate complex bound to chymotrypsin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 77.2 |
| Detector technology | CCD |
| Collection date | 2001-09-01 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 68.989, 68.989, 95.892 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.1986 |
| Rwork | 0.199 |
| R-free | 0.24280 |
| Structure solution method | Phases from PDB model |
| Starting model (for MR) | PDB ID 2GCH |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.025 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.074 | 0.470 |
| Number of reflections | 37642 | |
| <I/σ(I)> | 22 | 2.3 |
| Completeness [%] | 98.9 | 94.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 50 mM sodium cacodylate pH 5.6, 0.75% saturated cetyltrimethylammonium bromide, 45% saturated ammonium sulfate, 100 mM NaI, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
