4A38
METALLO-CARBOXYPEPTIDASE FROM PSEUDOMONAS AUREGINOSA IN COMPLEX WITH L-BENZYLSUCCINIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.100, 84.020, 107.700 |
| Unit cell angles | 90.00, 96.62, 90.00 |
Refinement procedure
| Resolution | 45.120 - 2.000 |
| R-factor | 0.232 |
| Rwork | 0.232 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.500 | 2.100 |
| High resolution limit [Å] | 2.000 | 1.990 |
| Rmerge | 0.100 | 0.560 |
| Number of reflections | 50257 | |
| <I/σ(I)> | 7.7 | 1.5 |
| Completeness [%] | 98.0 | 88.9 |
| Redundancy | 3.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
