6I6C
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 2
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 PILATUS3 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 113.913, 77.321, 59.214 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.980 - 1.720 |
| R-factor | 0.15213 |
| Rwork | 0.149 |
| R-free | 0.20597 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.681 |
| 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] | 63.980 | 1.970 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.043 | 0.394 |
| Number of reflections | 50658 | |
| <I/σ(I)> | 17.95 | |
| Completeness [%] | 90.0 | 92.7 |
| Redundancy | 3.5 | 3.5 |
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=6.50, 0.10 M NABR |
