3PVV
Structure of Mycobacterium tuberculosis DnaA-DBD in complex with box1 DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 88.441, 88.441, 105.156 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.000 - 2.000 |
| R-factor | 0.25242 |
| Rwork | 0.251 |
| R-free | 0.27073 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.928 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.104 | 0.429 | |
| Number of reflections | 40448 | ||
| Completeness [%] | 76.7 | 89.6 | 26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 20 mM Tris, 2 mM MgCl2, 50 mM NaCl, 1200 mM NH4SO4, 2-5% glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Tris | ||
| 10 | 1 | 2 | glycerol | ||
| 2 | 1 | 1 | MgCl2 | ||
| 3 | 1 | 1 | NaCl | ||
| 4 | 1 | 1 | NH4SO4 | ||
| 5 | 1 | 1 | glycerol | ||
| 6 | 1 | 2 | Tris | ||
| 7 | 1 | 2 | MgCl2 | ||
| 8 | 1 | 2 | NaCl | ||
| 9 | 1 | 2 | NH4SO4 |
