7X11
Crystal structure of ME1 in complex with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2017-11-13 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 142.697, 181.685, 117.625 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.700 - 2.070 |
| R-factor | 0.2664 |
| Rwork | 0.265 |
| R-free | 0.29930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wja |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.472 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.570 | 47.570 | 2.110 |
| High resolution limit [Å] | 2.070 | 11.340 | 2.070 |
| Rmerge | 0.105 | 0.019 | 1.159 |
| Rmeas | 0.118 | 0.021 | 1.340 |
| Rpim | 0.054 | 0.009 | 0.649 |
| Total number of observations | 861781 | 6042 | 38349 |
| Number of reflections | 174875 | 1116 | 8602 |
| <I/σ(I)> | 13.3 | 49.4 | 1.9 |
| Completeness [%] | 94.5 | 89.4 | 94.5 |
| Redundancy | 4.9 | 5.4 | 4.5 |
| CC(1/2) | 0.985 | 1.000 | 0.837 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | HEPES, ammonium chloride, PEG 3350 |
