1XG4
Crystal Structure of the C123S 2-Methylisocitrate Lyase Mutant from Escherichia coli in complex with the inhibitor isocitrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-08 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.92139 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 159.061, 84.561, 99.756 |
| Unit cell angles | 90.00, 108.15, 90.00 |
Refinement procedure
| Resolution | 47.290 - 1.600 |
| Rwork | 0.181 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oqf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.290 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.030 | 0.227 |
| Number of reflections | 161348 | |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 88.8 | 22.7 |
| Redundancy | 4.16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 30% PEG3350, 0.1M (NH)2SO4, 0.1M MES (pH6.0), 5mM Mg(II), 5mM isocitrate acid, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
