3FHZ
Crystal structure of the arginine repressor from Mycobacterium tuberculosis bound with its DNA operator and co-repressor, L-arginine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-26 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.286, 152.649, 163.423 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.339 - 3.270 |
| R-factor | 0.2329 |
| Rwork | 0.231 |
| R-free | 0.27570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 2FZF 3ere |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.864 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.420 |
| High resolution limit [Å] | 3.270 | 3.270 |
| Number of reflections | 24627 | |
| <I/σ(I)> | 11.3 | 1.57 |
| Completeness [%] | 98.2 | 97.2 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 25% PEG 3350, 100mM Bis-tris, 0.2M KF, 15% Glycerol, 10mM Arginine, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 3350 | ||
| 10 | 1 | 2 | Arginine | ||
| 2 | 1 | 1 | Bis-tris | ||
| 3 | 1 | 1 | Potassium fluoride | ||
| 4 | 1 | 1 | Glycerol | ||
| 5 | 1 | 1 | Arginine | ||
| 6 | 1 | 2 | PEG 3350 | ||
| 7 | 1 | 2 | Bis-tris | ||
| 8 | 1 | 2 | Potassium fluoride | ||
| 9 | 1 | 2 | Glycerol |
