6RNV
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-02 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9159 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 66.847, 66.847, 133.008 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 53.080 - 1.270 |
R-factor | 0.1544 |
Rwork | 0.153 |
R-free | 0.18580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rd5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.170 |
Data reduction software | DIALS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.080 | 1.315 |
High resolution limit [Å] | 1.270 | 1.270 |
Rmerge | 0.093 | 0.875 |
Rmeas | 0.095 | 0.913 |
Rpim | 0.022 | 0.259 |
Number of reflections | 91463 | 9068 |
<I/σ(I)> | 14.73 | 2.36 |
Completeness [%] | 98.8 | 96.46 |
Redundancy | 17.5 | 12.1 |
CC(1/2) | 0.993 | 0.541 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.01 M zinc chloride, 0.1 M sodium acetate pH 5.0, 20 % w/v PEG 6K |