5NHY
BAY-707 in complex with MTH1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.528, 66.709, 82.075 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.190 - 1.720 |
| R-factor | 0.22243 |
| Rwork | 0.220 |
| R-free | 0.26191 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q93 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.646 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.190 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.067 | 1.298 |
| Rmeas | 0.074 | 1.435 |
| Rpim | 0.032 | 0.603 |
| Number of reflections | 35361 | 1844 |
| <I/σ(I)> | 12.4 | 1.4 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 5.4 | 5.6 |
| CC(1/2) | 0.997 | 0.612 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 22.7% PEG4000, 0.24 ammonium sulfate, 15% glycerol |
