7AQP
T262S, A251S, L254S, L211Q mutant of carboxypeptidase T from Thermoactinomyces vulgaris
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 | 2016-12-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97242 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 158.278, 158.278, 104.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.910 - 2.600 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qnv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.688 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.169 | 0.570 |
| Number of reflections | 23589 | 3397 |
| <I/σ(I)> | 3.774 | 2.04 |
| Completeness [%] | 97.9 | 98.8 |
| Redundancy | 9.94 | 9.64 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6 Ammonium sulphate |
