1DUB
2-ENOYL-COA HYDRATASE, DATA COLLECTED AT 100 K, PH 6.5
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-05-14 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.972, 93.635, 246.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.26500 |
| Structure solution method | MIR |
| RMSD bond length | 0.014 |
| RMSD bond angle | 23.800 * |
| Data reduction software | DENZO |
| Phasing software | MLPHARE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.600 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.068 | 0.180 |
| Total number of observations | 243398 * | |
| Number of reflections | 58197 | |
| <I/σ(I)> | 14.3 | 5.6 |
| Completeness [%] | 95.7 | 97.8 |
| Redundancy | 4.2 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 100 MM MES/NAOH PH 6.5, 2.5 M AMMONIUM SULFATE, 10% OCTANOL, 1 MM DTT, 1 MM EDTA, 1 MM NA-AZIDE, 1 MM ACETOACETYL-COA. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.5 (mM) | |
| 10 | 1 | reservoir | DTT | 1 (mM) | |
| 11 | 1 | reservoir | 1 (mM) | ||
| 12 | 1 | reservoir | EDTA | 1 (mM) | |
| 13 | 1 | reservoir | n-octanol | 5 (%(v/v)) | |
| 2 | 1 | drop | ammonium sulfate | 1.05-1.25 (M) | |
| 3 | 1 | drop | MES | 50 (mM) | |
| 4 | 1 | drop | DTT | 0.5 (mM) | |
| 5 | 1 | drop | 0.5 (mM) | ||
| 6 | 1 | drop | EDTA | 0.5 (mM) | |
| 7 | 1 | drop | n-octanol | 2.5 (%(v/v)) | |
| 8 | 1 | reservoir | ammonium sulfate | 2.1-2.5 (M) | |
| 9 | 1 | reservoir | MES | 100 (mM) |
