6I6V
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 6
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) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 114.408, 77.611, 59.541 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.230 - 1.430 |
R-factor | 0.16154 |
Rwork | 0.159 |
R-free | 0.21150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.643 |
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] | 64.230 | 1.680 |
High resolution limit [Å] | 1.430 | 1.430 |
Rmerge | 0.046 | 0.597 |
Number of reflections | 94922 | |
<I/σ(I)> | 13.48 | |
Completeness [%] | 96.3 | 97.1 |
Redundancy | 2.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 15.00 %w/v PEG 3350, 0.40 M MG FORMATE |