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) |