1L5J
CRYSTAL STRUCTURE OF E. COLI ACONITASE B.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.5 |
| Synchrotron site | SRS |
| Beamline | PX9.5 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-08-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.900 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 138.970, 169.630, 113.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.151 * |
| Rwork | 0.151 |
| R-free | 0.20400 * |
| Structure solution method | MIR |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.183 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.073 | 0.449 |
| Number of reflections | 100790 | |
| <I/σ(I)> | 13 | 2.23 |
| Completeness [%] | 96.0 | 94 * |
| Redundancy | 3.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 17 * | ammonium sulphate, HEPES, cobalt chloride, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 2.2 (M) | |
| 2 | 1 | reservoir | HEPES | 0.1 (M) | pH7.1 |
| 3 | 1 | reservoir | 10 (mM) | ||
| 4 | 1 | drop | protein | 40-60 (mg/ml) |
