1LQT
A covalent modification of NADP+ revealed by the atomic resolution structure of FprA, a Mycobacterium tuberculosis oxidoreductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-07-31 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.335, 89.215, 160.873 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.050 |
| R-factor | 0.13393 |
| Rwork | 0.134 |
| R-free | 0.15300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e1l |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.747 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | BEAST |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.110 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.071 | |
| Total number of observations | 1170509 * | |
| Number of reflections | 440216 | |
| <I/σ(I)> | 5.1 | 1.6 |
| Completeness [%] | 95.8 | 95.4 * |
| Redundancy | 2.6 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 4 * | PEG4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | drop | HEPES-KOH | 10 (mM) | pH7.0 |
| 3 | 1 | drop | glycerol | 10 (%(v/v)) | |
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | drop | NADP+ | 0.65 (mM) | |
| 6 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 7 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.6 |
| 8 | 1 | reservoir | ammonium acetate | 0.2 (M) |
