7COL
Crystal structure of 5-ketofructose reductase complexed with NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2017-05-05 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.500, 61.528, 96.855 |
Unit cell angles | 90.00, 96.82, 90.00 |
Refinement procedure
Resolution | 40.210 - 1.950 |
R-factor | 0.2113 |
Rwork | 0.208 |
R-free | 0.26370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nvt |
RMSD bond length | 0.009 |
RMSD bond angle | 1.428 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 96.169 | 37.887 | 2.060 |
High resolution limit [Å] | 1.950 | 6.170 | 1.950 |
Rmerge | 0.050 | 0.151 | |
Rmeas | 0.072 | 0.060 | 0.184 |
Rpim | 0.039 | 0.032 | 0.103 |
Total number of observations | 105580 | 3361 | 13916 |
Number of reflections | 33451 | 1046 | 4679 |
<I/σ(I)> | 13.1 | 21.3 | 6.3 |
Completeness [%] | 96.7 | 91.7 | 93.1 |
Redundancy | 3.2 | 3.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | PEG 3350, HEPES-Na, Ammonium fluoride, MPD |