1CW3
HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITH NAD+ AND MN2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 1998-08-08 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 101.400, 176.300, 102.000 |
Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
Resolution | 45.000 - 2.580 |
R-factor | 0.175 * |
Rwork | 0.175 |
R-free | 0.24200 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.280 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.680 |
High resolution limit [Å] | 2.580 | 2.580 |
Rmerge | 0.072 | 0.287 |
Total number of observations | 221417 * | |
Number of reflections | 102859 | |
<I/σ(I)> | 12.6 | |
Completeness [%] | 91.6 | 64.3 |
Redundancy | 2.15 | 1.51 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 6.2 * | 293 | 100 MM ACES, PH 6.4, 100 MM GUANIDINE-HCL, 2 MM NAD+, 4 MM DTT, 16% PEG 6000, 8 MG/ML ENZYME SOAKED WITH 8 MM MNCL2 FOR 2 DAYS, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 8 (mg/ml) | |
2 | 1 | 2 | ACES | 100 (mM) | |
3 | 1 | 2 | guanidine-HCl | 100 (mM) | |
4 | 1 | 2 | NAD+ | 2 (mM) | |
5 | 1 | 2 | dithiothreitol | 3 (mM) | |
6 | 1 | 2 | PEG6000 | 17 (%(w/v)) |