3MBC
Crystal structure of monomeric isocitrate dehydrogenase from Corynebacterium glutamicum in complex with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.840, 52.730, 236.370 |
| Unit cell angles | 90.00, 103.41, 90.00 |
Refinement procedure
| Resolution | 19.740 - 1.900 |
| R-factor | 0.19137 |
| Rwork | 0.189 |
| R-free | 0.22926 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b0t split into 2 domains: Domain I (residues 2-138 and 558-737) and Domain II (139-557). |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.272 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (1.3.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.740 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.088 | 0.308 |
| Number of reflections | 119827 | |
| <I/σ(I)> | 9.94 | 3.5 |
| Completeness [%] | 97.8 | 85.4 |
| Redundancy | 3.66 | 3.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | 25% polyethylene glycol 2000 monomethyl ether, 0.2 M tris[hydroxymethyl]aminomethane-HCl buffer, 0.2 M MgCl2, and 10 mM NADP, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
