1O9P
Crystal structure of the S131A mutant of Malonamidase E2 complexed with malonate from Bradyrhizobium japonicum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 103.581, 94.790, 75.065 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.192 |
Rwork | 0.192 |
R-free | 0.22600 |
Structure solution method | DIRECT METHODS |
Starting model (for MR) | 1GR9 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.291 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.840 |
High resolution limit [Å] | 1.800 * | 1.780 |
Rmerge | 0.053 * | 0.198 * |
Total number of observations | 514152 * | |
Number of reflections | 71433 | |
<I/σ(I)> | 22.23 | 4 |
Completeness [%] | 94.3 | 84.7 |
Redundancy | 4 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7 | 20% POLYETHYLENE GLYCOL 1000, 100 MM TRIS, PH 7.0, 15 MM MALONATE |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | PEG1000 | 20 (%) | |
3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH7.0 |