7Q87
Carboxypeptidase T with (S)-3-phenyllactic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.7749 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 157.328, 157.328, 104.132 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.940 - 1.730 |
| R-factor | 0.1315 |
| Rwork | 0.131 |
| R-free | 0.14530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qnv |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.162 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.820 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.133 | 0.430 |
| Rmeas | 0.332 | |
| Number of reflections | 79136 | 11382 |
| <I/σ(I)> | 0.137 | |
| Completeness [%] | 100.0 | |
| Redundancy | 18.17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | SA 1.4% |
