7F7J
The crystal structure of AKR4C17
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-01-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97892 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 77.612, 77.612, 451.986 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.820 - 1.930 |
R-factor | 0.1812 |
Rwork | 0.180 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h7u |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.000 |
High resolution limit [Å] | 1.930 | 4.150 | 1.930 |
Rmerge | 0.118 | 0.088 | 0.326 |
Rmeas | 0.126 | 0.093 | 0.343 |
Rpim | 0.042 | 0.031 | 0.103 |
Total number of observations | 458237 | ||
Number of reflections | 59007 | 6827 | 5466 |
<I/σ(I)> | 7.9 | ||
Completeness [%] | 94.6 | 99.6 | 90.3 |
Redundancy | 7.8 | 9.4 | 8.5 |
CC(1/2) | 0.995 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 298 | 2.0 M Ammonium sulfate, 0.1 M MES pH 6.5 and 0.01 M CoCl2 |