8QZF
Heme-domain BM3 mutant T268E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2023-09-23 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.99989 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.400, 146.790, 64.310 |
| Unit cell angles | 90.00, 100.04, 90.00 |
Refinement procedure
| Resolution | 45.310 - 1.800 |
| R-factor | 0.16165 |
| Rwork | 0.160 |
| R-free | 0.19627 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.584 |
| Data reduction software | xia2 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.310 | 45.270 | 1.850 |
| High resolution limit [Å] | 1.800 | 8.000 | 1.800 |
| Rmerge | 0.104 | 0.054 | 0.890 |
| Rmeas | 0.130 | 0.067 | 1.153 |
| Number of reflections | 188959 | 2106 | 12603 |
| <I/σ(I)> | 7.13 | ||
| Completeness [%] | 96.8 | ||
| Redundancy | 5 | ||
| CC(1/2) | 0.992 | 0.991 | 0.301 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | (0.2 M magnesium chloride hexahydrate, 0.1 M Tris-HCl pH 8.5, 30% PEG 4000 |
