6I6F
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 1
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 | 59.154, 77.194, 114.854 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.070 - 1.940 |
R-factor | 0.19298 |
Rwork | 0.191 |
R-free | 0.23150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.552 |
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] | 64.070 | 2.190 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.026 | 0.113 |
Number of reflections | 37878 | |
<I/σ(I)> | 16.73 | |
Completeness [%] | 95.4 | 97.7 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 20.00 %w/v PEG 3350, 0.10 M BIS-TRIS PROP PH 6.50, 0.10 M NABR |