1N3I
Crystal Structure of Mycobacterium tuberculosis PNP with transition state analog DADMe-ImmH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-06-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 102.842, 102.842, 128.763 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.21300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1g2o |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.320 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.036 * | 0.105 * |
| Total number of observations | 321763 * | |
| Number of reflections | 59925 | |
| <I/σ(I)> | 45.9 | 10.3 |
| Completeness [%] | 95.8 | 76.9 |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 | 291 | PEG4000, Magnesium Chloride, Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PNP | 730000 (nM) | |
| 2 | 1 | drop | DADMe-ImmH | 1.1 (mM) | |
| 3 | 1 | drop | sodium phosphate | 3 (mM) | pH8.0 |
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.0 |
| 5 | 1 | reservoir | PEG4000 | 25 (%) | |
| 6 | 1 | reservoir | 25 (mM) |
