7A3M
Synergistic stabilization of a double mutant in CI2 from an in-cell library screen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2019-06-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 68.435, 68.435, 52.104 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.270 - 1.010 |
| R-factor | 0.1504 |
| Rwork | 0.149 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7A2E |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.516 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER (v2.5.5) |
| Refinement software | REFMAC (v5.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.270 | 1.069 |
| High resolution limit [Å] | 1.006 | 1.006 |
| Rpim | 0.015 | 0.506 |
| Number of reflections | 29926 | 1496 |
| <I/σ(I)> | 22.9 | 1.2 |
| Completeness [%] | 95.4 | 60.7 |
| Redundancy | 32.4 | 5.9 |
| CC(1/2) | 1.000 | 0.498 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 40 % (NH4)2SO4, 50 mM Tris-HCl, pH 8.0 |
