9EV6
Corynebacterium glutamicum pyruvate:quinone oxidoreductase (PQO), C-terminal truncated construct
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9655 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 100.554, 98.481, 110.515 |
Unit cell angles | 90.00, 90.84, 90.00 |
Refinement procedure
Resolution | 37.460 - 1.891 |
R-factor | 0.1698 |
Rwork | 0.168 |
R-free | 0.19680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 9ev5 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
Data reduction software | autoPROC |
Data scaling software | Aimless (0.7.13) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 110.499 | 110.499 | 2.017 |
High resolution limit [Å] | 1.891 | 5.633 | 1.891 |
Rmerge | 0.135 | 0.066 | 1.241 |
Rmeas | 0.146 | 0.071 | 1.338 |
Rpim | 0.056 | 0.028 | 0.498 |
Total number of observations | 910211 | 44159 | 47885 |
Number of reflections | 133666 | 6683 | 6683 |
<I/σ(I)> | 7.26 | 16.53 | 1.6 |
Completeness [%] | 95.4 | 99.9 | 66.7 |
Completeness (spherical) [%] | 77.7 | 99.9 | 22.2 |
Completeness (ellipsoidal) [%] | 95.4 | 99.9 | 66.7 |
Redundancy | 6.81 | 6.61 | 7.17 |
CC(1/2) | 0.995 | 0.995 | 0.604 |
Anomalous completeness (spherical) | 77.6 | 99.6 | 22.3 |
Anomalous completeness | 95.2 | 99.6 | 66.9 |
Anomalous redundancy | 3.5 | 3.5 | 3.6 |
CC(ano) | -0.233 | -0.115 | -0.016 |
|DANO|/σ(DANO) | 0.6 | 0.4 | 0.7 |
Diffraction limits | Principal axes of ellipsoid fitted to diffraction cut-off surface |
1.881 Å | 1.000, 1.000, 1.000 |
1.907 Å | 0.000, 0.000, 0.000 |
2.323 Å | -0.024, -0.024, -0.024 |
Criteria used in determination of diffraction limits | local <I/sigmaI> ≥ 1.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 35 % methylpentanediol (MPD) |