6AF6
PigA with FAD and proline
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 | 2018-07-26 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 85.574, 86.306, 145.771 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.516 - 1.620 |
R-factor | 0.1556 |
Rwork | 0.155 |
R-free | 0.17960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zw8 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.676 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.680 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.063 | 0.537 |
Number of reflections | 68585 | 6722 |
<I/σ(I)> | 30.2 | 3.2 |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 7.2 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 291 | 5mM L-prolylglycine, 1.6M (NH4)2SO4, 2% PEG 400, 0.1M citric acid |