3ERE
Crystal structure of the arginine repressor protein from Mycobacterium tuberculosis in complex with the DNA operator
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.11588 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 94.128, 94.128, 147.014 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.500 |
| R-factor | 0.2274 |
| Rwork | 0.227 |
| R-free | 0.25540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 2FZF 1b4a |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.106 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.064 | 0.802 |
| Number of reflections | 13952 | |
| <I/σ(I)> | 36 | 2.1 |
| Completeness [%] | 99.8 | 98.7 |
| Redundancy | 11.7 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 295 | 1M Ammonium sulfate, 100 mM Bis-tris buffer, 1% PEG 3350, pH 5.5, VAPOR DIFFUSION, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Ammonium sulfate | ||
| 2 | 1 | 1 | Bis-tris | ||
| 3 | 1 | 1 | PEG 3350 | ||
| 4 | 1 | 2 | Ammonium sulfate | ||
| 5 | 1 | 2 | Bis-tris | ||
| 6 | 1 | 2 | PEG 3350 |
