1O95
Ternary complex between trimethylamine dehydrogenase and electron transferring flavoprotein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-11-15 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 102.500, 116.513, 138.706 |
Unit cell angles | 90.00, 95.35, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.700 |
R-factor | 0.257 |
Rwork | 0.252 |
R-free | 0.34800 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.075 * |
RMSD bond angle | 4.620 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.08) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.900 |
High resolution limit [Å] | 3.700 | 3.700 |
Rmerge | 0.112 * | 0.352 * |
Total number of observations | 279217 * | |
Number of reflections | 32854 | |
<I/σ(I)> | 6.8 | 2.7 |
Completeness [%] | 97.1 | 94.3 |
Redundancy | 2.9 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.5 | 8% PEG 20000, 8 % PEG 750 MME, 0.1-0.3 M SODIUM ACETATE, pH 6.50 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG20000 | 30 (%(w/v)) | |
2 | 1 | reservoir | sodium acetate | 0.2 (M) | |
3 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |