7F7M
AKR4C17 in complex with NADP+ and glyphosate
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 | 2021-02-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00797 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 77.640, 77.640, 451.888 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.820 - 2.470 |
R-factor | 0.1978 |
Rwork | 0.194 |
R-free | 0.24430 |
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 (1.17.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.560 |
High resolution limit [Å] | 2.470 | 5.310 | 2.470 |
Rmerge | 0.114 | 0.063 | 0.491 |
Rmeas | 0.122 | 0.067 | 0.518 |
Rpim | 0.038 | 0.021 | 0.152 |
Total number of observations | 254457 | ||
Number of reflections | 29709 | 3228 | 2891 |
<I/σ(I)> | 5.6 | ||
Completeness [%] | 97.3 | 94.1 | 98.7 |
Redundancy | 8.6 | 8.3 | 8.5 |
CC(1/2) | 0.997 | 0.864 |
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 |