7BVI
Crystal structure of Pennisetum glaucum monodehydroascorbate reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-27 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967700 |
Spacegroup name | P 1 |
Unit cell lengths | 65.959, 79.357, 91.769 |
Unit cell angles | 96.00, 97.29, 112.41 |
Refinement procedure
Resolution | 72.340 - 2.391 |
R-factor | 0.1715 |
Rwork | 0.169 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jci |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Phasing software | BALBES (1.0.0) |
Refinement software | BUSTER (2.10.3 (19-MAR-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.340 | 2.432 |
High resolution limit [Å] | 2.391 | 2.391 |
Rmeas | 0.120 | |
Number of reflections | 61346 | 237394 |
<I/σ(I)> | 2.17 | |
Completeness [%] | 92.2 | |
Redundancy | 3.9 | |
CC(1/2) | 0.993 | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M) Sodium acetate trihydrate 0.1 M Sodium cacodylate trihydrate pH 6.5 30% w/v Polyethylene glycol 8,000 |