6F81
AKR1B1 at 0.75 MGy radiation dose.
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 | 2017-05-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9017 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.368, 66.649, 49.446 |
| Unit cell angles | 90.00, 92.02, 90.00 |
Refinement procedure
| Resolution | 10.000 - 0.970 |
| Rwork | 0.108 |
| R-free | 0.13530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j8t |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.420 | 0.990 |
| High resolution limit [Å] | 0.970 | 0.970 |
| Rmerge | 0.034 | 0.287 |
| Rmeas | 0.039 | 0.340 |
| Rpim | 0.020 | 0.179 |
| Number of reflections | 180328 | 8945 |
| <I/σ(I)> | 18.3 | |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.6 | 3.4 |
| CC(1/2) | 0.999 | 0.895 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | PEG 6000, AmCitrate |
