4UEZ
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Phe-Y(PO2CH2)-Phe-OH
Experimental 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 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.989, 84.143, 158.005 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.000 - 2.290 |
| R-factor | 0.15317 |
| Rwork | 0.150 |
| R-free | 0.20519 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v77 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.731 |
| Data reduction software | XPS |
| Data scaling software | CCP4I |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.990 | 2.410 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.150 | 0.360 |
| Number of reflections | 28256 | |
| <I/σ(I)> | 13.3 | 8.1 |
| Completeness [%] | 98.9 | 92.5 |
| Redundancy | 5.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M CALCIUM CHLORIDE, 0.1 M HEPES PH 7.0 AND 17% W/V PEG6000 |
