6QJZ
Identificationand Characterization of an Oxalylfrom Grass pea (Lathyrus sativusCoA-Synthetase L.)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2018-10-07 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 62.000, 74.260, 101.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.640 - 2.700 |
R-factor | 0.20856 |
Rwork | 0.208 |
R-free | 0.22870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ie2 |
RMSD bond length | 0.002 |
RMSD bond angle | 1.197 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.640 | 2.797 |
High resolution limit [Å] | 2.700 | 2.700 |
Rpim | 0.186 | 0.264 |
Number of reflections | 13429 | 1294 |
<I/σ(I)> | 21.7 | 6.76 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.7 | 20.2 |
CC(1/2) | 0.851 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2M NaCl 25% Polyethylene glycol (PEG) 3,350 100 mM Tris pH 8.5. T |