7AT2
Crystal structure of inactive EstD11 S144A
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 | 2017-08-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.190, 80.137, 144.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.770 - 1.440 |
| R-factor | 0.1764 |
| Rwork | 0.176 |
| R-free | 0.18780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xvc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.325 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.310 | 1.460 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.082 | 0.703 |
| Rpim | 0.037 | 0.325 |
| Number of reflections | 101766 | 5003 |
| <I/σ(I)> | 12.2 | 2.5 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 5.7 | 5.6 |
| CC(1/2) | 0.998 | 0.713 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | 3.2M Sodium formate + 0.1M citrate pH 5 |
