6Z89
human GTP cyclohydrolase I in complex with allosteric inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-21 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.999870 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 121.786, 121.786, 357.150 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 105.470 - 2.366 |
| R-factor | 0.2338 |
| Rwork | 0.234 |
| R-free | 0.23780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fb1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 105.470 | 2.634 |
| High resolution limit [Å] | 2.366 | 2.366 |
| Number of reflections | 44678 | 2235 |
| <I/σ(I)> | 24.8 | 1.6 |
| Completeness [%] | 96.1 | 78.8 |
| Redundancy | 26.8 | 25.3 |
| CC(1/2) | 1.000 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 0.2 M Magnesium chloride, PEG8000; TRIS pH 7.0 |
