1F8M
CRYSTAL STRUCTURE OF 3-BROMOPYRUVATE MODIFIED ISOCITRATE LYASE (ICL) FROM MYCOBACTERIUM TUBERCULOSIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-14 |
| Detector | CUSTOM-MADE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.310, 129.037, 166.165 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.860 - 1.800 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.24700 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.046 | 0.279 |
| Total number of observations | 691246 * | |
| Number of reflections | 142726 | |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 96.3 | 94.1 |
| Redundancy | 4.84 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 | 289 | PEG4000, sodium acetate, magnesium acetate, 3-bromopyruvate, pH 8.0, Microbactch under paraffin oil, temperature 289.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 2 | 1 | reservoir | sodium acetate | 0.2 (M) | |
| 3 | 1 | reservoir | PEG4000 | 20-30 (%(w/v)) |
