6I6T
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 5
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 | 2017-05-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99997 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 108.115, 83.925, 59.098 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.300 - 1.790 |
| R-factor | 0.21155 |
| Rwork | 0.210 |
| R-free | 0.24249 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.484 |
| 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] | 66.300 | 2.040 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.064 | 0.596 |
| Number of reflections | 49680 | |
| <I/σ(I)> | 9.62 | |
| Completeness [%] | 96.6 | 98.1 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 20.00 %w/v PEG 3350, 0.10 M BIS-TRIS PROPAN PH=8.00, 0.20 M NABB |
