7DIH
Crystal structure of Thermoglobin Y29F mutant in complex with imidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.900 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 59.771, 35.823, 138.084 |
| Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
| Resolution | 38.022 - 1.500 |
| R-factor | 0.2004 |
| Rwork | 0.199 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vhb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.829 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.030 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.039 | 0.626 |
| Rmeas | 0.046 | 0.807 |
| Rpim | 0.024 | 0.501 |
| Number of reflections | 46830 | 2116 |
| <I/σ(I)> | 18.8 | 1.8 |
| Completeness [%] | 99.5 | 93.1 |
| Redundancy | 6.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 3.0 M ammonium sulfide, 0.1 M sodium cacodylate pH 6.0, 2 % PEG 400 |
