3N83
T244A mutant of human mitochondrial aldehyde dehydrogenase, NAD complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 145.129, 150.993, 177.695 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.060 - 1.900 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.23200 |
Structure solution method | Direct Refinement |
Starting model (for MR) | 1o05 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.260 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.087 | 0.539 |
Number of reflections | 305300 | |
<I/σ(I)> | 20.6 | 2.9 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 6 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.4 | 292 | 100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 1-10MM MGCL2, 100-200 MM GUANIDINE HCL, 16-17% W/V PEG 6000, pH 6.4, vapor diffusion, temperature 292K |