7X12
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 | 142.285, 181.594, 116.821 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.180 - 2.070 |
| R-factor | 0.218 |
| Rwork | 0.216 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wja |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.490 |
| 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] | 47.430 | 47.430 | 2.110 |
| High resolution limit [Å] | 2.070 | 11.340 | 2.070 |
| Rmerge | 0.090 | 0.021 | 0.917 |
| Rmeas | 0.101 | 0.023 | 1.024 |
| Rpim | 0.044 | 0.010 | 0.445 |
| Total number of observations | 881596 | 5816 | 44367 |
| Number of reflections | 175249 | 1083 | 8805 |
| <I/σ(I)> | 11.8 | 40.7 | 1.9 |
| Completeness [%] | 95.7 | 87.9 | 98 |
| Redundancy | 5 | 5.4 | 5 |
| CC(1/2) | 0.998 | 0.999 | 0.654 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | HEPES, ammonium chloride, PEG 3350 |
