7BTJ
Crystal structure of Pennisetum glaucum monodehydroascorbate reductase in complex with FADH2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2019-01-18 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 65.730, 79.118, 90.687 |
Unit cell angles | 96.39, 97.27, 111.92 |
Refinement procedure
Resolution | 61.450 - 2.373 |
R-factor | 0.1886 |
Rwork | 0.186 |
R-free | 0.24320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jci |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
Data reduction software | autoPROC (1.0.5) |
Data scaling software | autoPROC (1.0.5) |
Phasing software | BALBES (1.0.0) |
Refinement software | BUSTER (2.10.4 (11-DEC-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.450 | 2.413 |
High resolution limit [Å] | 2.370 | 2.373 |
Number of reflections | 64802 | 15670 |
<I/σ(I)> | 2.21 | |
Completeness [%] | 96.6 | |
Redundancy | 4.9 | |
CC(1/2) | 0.997 | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 0.2 M Sodium acetate trihydrate 0.1 M Sodium cacodylate trihydrate pH 6.5 30% w/v Polyethylene glycol 8,000 |