6T1B
Crystal structure of YlmD from Geobacillus stearothermophilus in complex with inosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-09 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.556, 48.483, 134.614 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.615 - 1.200 |
| R-factor | 0.1535 |
| Rwork | 0.153 |
| R-free | 0.16690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t8h |
| Data reduction software | XDS (11) |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER (1.16) |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.620 | 1.243 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.049 | 3.571 |
| Rmeas | 0.053 | 3.889 |
| Rpim | 0.021 | 1.521 |
| Number of reflections | 85886 | 12741 |
| <I/σ(I)> | 12.4 | |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.5 | 6.3 |
| CC(1/2) | 0.999 | 0.377 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 25% PEG 6000, 0.5 M NaCl, 0.1 M HEPES pH 7.5 |
