3II4
Structure of mycobacterial lipoamide dehydrogenase bound to a triazaspirodimethoxybenzoyl inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-08-06 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.900, 98.400, 123.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.660 - 2.420 |
| Rwork | 0.185 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a8x |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.510 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.080 | 0.356 |
| Number of reflections | 39154 | |
| <I/σ(I)> | 12.7 | |
| Completeness [%] | 98.9 | 98 |
| Redundancy | 4.4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 200 microM Lpd, 300 microM 3II, 600 microM NADH, 100 mM Tris pH 8.5, 10 mM NaCl, 11% PEG 10000, 15% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
