8OYG
Crystal structure of ASBTNM in complex with pantoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.963, 89.364, 53.052 |
| Unit cell angles | 90.00, 124.40, 90.00 |
Refinement procedure
| Resolution | 44.000 - 2.300 |
| R-factor | 0.2282 |
| Rwork | 0.226 |
| R-free | 0.26560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.440 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.382 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.118 | 0.463 |
| Rmeas | 0.137 | 0.578 |
| Rpim | 0.068 | 0.340 |
| Number of reflections | 14273 | 1201 |
| <I/σ(I)> | 5.74 | |
| Completeness [%] | 97.7 | 82.77 |
| Redundancy | 3.9 | 2.5 |
| CC(1/2) | 0.988 | 0.804 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 7.5 | 293 | 0.2 M Magnesium chloride hexahydrate, 0.005 M Cadmium chloride hemi-(pentahydrate), 0.1 M Tris (pH 7.5), and 14% v/v PEG 500 MME |
