3FVL
Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-11-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.347, 59.786, 99.360 |
| Unit cell angles | 90.00, 103.94, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hdq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.326 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.046 | 0.093 |
| Number of reflections | 67780 | |
| <I/σ(I)> | 51.86 | 29.42 |
| Completeness [%] | 95.3 | 90.1 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 7.5 | 277 | 0.02% glutaraldehyde, 0.15M lithium chloride, pH 7.5, temperature 277K, MICRODIALYSIS |
