2R0N
The effect of a Glu370Asp mutation in Glutaryl-CoA Dehydrogenase on Proton Transfer to the Dienolate Intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-06-25 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 114.650, 114.650, 126.780 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.340 - 2.300 |
Rwork | 0.219 |
R-free | 0.28400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1siq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MERLOT |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.340 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 20459 | |
<I/σ(I)> | 12.4 | 1.9 |
Completeness [%] | 90.8 | 77.4 |
Redundancy | 5.7 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | MES buffer, PEG5KMME, Ammonium Sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |