5KVU
Crystal structure of isocitrate dehydrogenase-2 in complex with NADP(+) from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-25 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0723 |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.827, 110.861, 114.914 |
| Unit cell angles | 86.01, 78.62, 76.79 |
Refinement procedure
| Resolution | 48.503 - 2.660 |
| R-factor | 0.1809 |
| Rwork | 0.178 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j1w |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.923 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.720 |
| High resolution limit [Å] | 2.660 | 7.240 | 2.670 |
| Rmerge | 0.115 | 0.042 | 0.596 |
| Rmeas | 0.133 | 0.049 | 0.690 |
| Rpim | 0.067 | 0.025 | 0.347 |
| Total number of observations | 390141 | ||
| Number of reflections | 99474 | ||
| <I/σ(I)> | 10.5 | ||
| Completeness [%] | 98.7 | 99.5 | 98 |
| Redundancy | 3.9 | 3.8 | 3.9 |
| CC(1/2) | 0.998 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 8-10% Tacsimate and 18-20% (w/v) PEG 3,350 |
