6RNW
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR) in complex with NADP.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 66.990, 66.990, 131.970 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.570 - 1.920 |
R-factor | 0.1721 |
Rwork | 0.171 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rd5 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.926 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.570 | 1.989 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.127 | 1.588 |
Rmeas | 0.134 | 1.687 |
Rpim | 0.044 | 0.565 |
Number of reflections | 26888 | 2619 |
<I/σ(I)> | 10.1 | 1.31 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.2 | 8.7 |
CC(1/2) | 0.998 | 0.489 |
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 (A12, PACT screen, Molecular Dimensions Ltd., Newmarket, UK) |