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 |