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 |