4UEE
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Ala-Y(PO2CH2)-homoPhe-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 | 46.298, 83.983, 157.096 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.550 - 2.270 |
| R-factor | 0.15743 |
| Rwork | 0.154 |
| R-free | 0.22542 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v77 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.672 |
| 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] | 46.300 | 2.370 |
| High resolution limit [Å] | 2.270 | 2.250 |
| Rmerge | 0.060 | 0.130 |
| Number of reflections | 25246 | |
| <I/σ(I)> | 10.2 | 5.3 |
| Completeness [%] | 86.6 | 58.4 |
| Redundancy | 2.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M CALCIUM CHLORIDE, 0.1 M HEPES PH 7.0 AND 20% W/V PEG6000 |
