5OM9
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with a thiirane mechanism-based inhibitor
Replaces: 4UF4Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979490 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.901, 52.544, 133.984 |
| Unit cell angles | 90.00, 94.84, 90.00 |
Refinement procedure
| Resolution | 43.680 - 1.800 |
| R-factor | 0.15732 |
| Rwork | 0.154 |
| R-free | 0.21178 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v77 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.852 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.500 | 1.860 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.070 | 0.130 |
| Number of reflections | 69096 | |
| <I/σ(I)> | 11 | 4.2 |
| Completeness [%] | 94.1 | 66 |
| Redundancy | 3.1 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 20% PEG 6000, 0.2M MGCL2, 0.1 M TRIS- HCL BUFFER PH 8.0 |
