3FX6
X-RAY crystallographic studies on the complex of carboxypeptidase A with the inhibitor using alpha-nitro ketone as the 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 | 2008-11-27 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.356, 59.752, 99.514 |
| Unit cell angles | 90.00, 104.04, 90.00 |
Refinement procedure
| Resolution | 36.370 - 1.851 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hdq |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.350 |
| 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] | 36.370 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.047 | 0.081 |
| Number of reflections | 67762 | |
| <I/σ(I)> | 49.1156 | 30.398 |
| Completeness [%] | 89.6 | 87.7 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 7.5 | 277 | 0.15M lithium chloride, 0.02% glutaraldehyde, 0.025M Tris, pH7.5, MICRODIALYSIS, temperature 277K |
