7CAX
Crystal structure of bacterial reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-11-13 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.929, 90.018, 97.776 |
Unit cell angles | 90.00, 92.68, 90.00 |
Refinement procedure
Resolution | 39.234 - 1.846 |
R-factor | 0.1729 |
Rwork | 0.172 |
R-free | 0.19870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7caw |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.234 | 39.234 | 1.960 |
High resolution limit [Å] | 1.846 | 5.510 | 1.850 |
Rmerge | 0.057 | 0.024 | 0.506 |
Rmeas | 0.079 | 0.034 | 0.698 |
Number of reflections | 174803 | 6626 | 28174 |
<I/σ(I)> | 9.85 | 24.81 | 2.07 |
Completeness [%] | 96.4 | 96.7 | 96.1 |
Redundancy | 1.902 | 1.93 | 1.881 |
CC(1/2) | 0.996 | 0.997 | 0.637 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.4 | 290 | 0.2 M potassium sodium tartrate, 20% (w/v) PEG 3350 |