6I79
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.783, 99.496, 55.109 |
| Unit cell angles | 90.00, 95.51, 90.00 |
Refinement procedure
| Resolution | 54.850 - 1.630 |
| R-factor | 0.16559 |
| Rwork | 0.162 |
| R-free | 0.21655 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.562 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.850 | 1.880 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.042 | 0.601 |
| Number of reflections | 59623 | |
| <I/σ(I)> | 16.78 | |
| Completeness [%] | 95.4 | 87.1 |
| Redundancy | 3.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 15.00 %w/v PEG 3350, 0.50 M MG FORMATE |
