6I6P
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 3
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 21 21 21 |
| Unit cell lengths | 114.529, 77.708, 59.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.300 - 1.620 |
| R-factor | 0.15675 |
| Rwork | 0.154 |
| R-free | 0.20782 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.318 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.300 | 1.870 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.050 | 0.596 |
| Number of reflections | 66950 | |
| <I/σ(I)> | 14.1 | |
| Completeness [%] | 97.9 | 98.1 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 15.00 %w/v PEG 3350, 0.40 M MG FORMATE |
