7RIH
hyen D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95366 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.038, 24.731, 34.729 |
| Unit cell angles | 90.00, 102.47, 90.00 |
Refinement procedure
| Resolution | 19.980 - 1.350 |
| R-factor | 0.1842 |
| Rwork | 0.181 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7rii |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.980 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.050 | |
| Rmeas | 0.060 | |
| Rpim | 0.033 | |
| Number of reflections | 9116 | 507 |
| <I/σ(I)> | 13.11 | |
| Completeness [%] | 93.7 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.07 M citrate (pH 2.3), 0.03 M Bis-tris propane (pH 9.7) and 16% w/v PEG3350 |
