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 |