1ECQ
E. COLI GLUCARATE DEHYDRATASE BOUND TO 4-DEOXYGLUCARATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 1998-07-10 |
| Detector | OTHER |
| Spacegroup name | P 1 |
| Unit cell lengths | 71.108, 84.602, 98.779 |
| Unit cell angles | 103.46, 93.97, 113.03 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.30500 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.010 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.056 | 0.321 |
| Total number of observations | 511237 * | |
| Number of reflections | 131655 * | |
| <I/σ(I)> | 11 | |
| Completeness [%] | 97.5 | 94.2 |
| Redundancy | 3.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 8 | 277 | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG5000 ME | 14 (%) | |
| 2 | 1 | 1 | 75 (mM) | ||
| 3 | 1 | 1 | 2-propanol | 5 (%) | |
| 4 | 1 | 1 | HEPPES | 50 (mM) |
