7AON
Crystal structure of CI2 double mutant L49I,I57V
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 | 68.392, 68.392, 52.661 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.700 - 1.300 |
| R-factor | 0.1651 |
| Rwork | 0.162 |
| R-free | 0.21910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7aok |
| RMSD bond length | 0.030 |
| RMSD bond angle | 3.143 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.229 | 59.229 | 1.345 |
| High resolution limit [Å] | 1.262 | 3.914 | 1.262 |
| Rmerge | 0.093 | 0.057 | 2.667 |
| Rmeas | 0.094 | 0.058 | 2.708 |
| Rpim | 0.016 | 0.010 | 0.462 |
| Total number of observations | 9877 | 49389 | |
| Number of reflections | 15866 | 793 | 795 |
| <I/σ(I)> | 22.585 | 37.2 | 0.5 |
| Completeness [%] | 94.7 | 100 | 63.42 |
| Redundancy | 36.03 | 31.45 | 34.09 |
| CC(1/2) | 1.000 | 0.999 | 0.703 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 40 % (NH4)2SO4, 50 mM Tris-HCl, pH 8.0 |
