2P5L
Crystal structure of a dimer of N-terminal domains of AhrC in complex with an 18bp DNA operator site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.2 |
Synchrotron site | SRS |
Beamline | PX14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-25 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 139.105, 118.770, 121.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.810 - 2.850 |
R-factor | 0.208 |
Rwork | 0.207 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | N-TERMINAL DOMAIN OF AHRC (2P5K) AND 7BP OF DNA FROM THE PURINE REPRESSOR-OPERATOR COMPLEX (1JFS) |
RMSD bond length | 0.016 |
RMSD bond angle | 1.675 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.810 | 3.000 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.063 | 0.406 |
Number of reflections | 23191 | |
<I/σ(I)> | 18 | 3.4 |
Completeness [%] | 98.0 | 98 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.1 | 277 | 1.7M ammonium sulphate, 0.1M HEPES, 0.1M sodium chloride, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 7.10 |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | ammonium sulphate | ||
2 | 1 | 1 | HEPES | ||
3 | 1 | 1 | sodium chloride | ||
4 | 1 | 1 | H2O | ||
5 | 1 | 2 | ammonium sulphate | ||
6 | 1 | 2 | HEPES | ||
7 | 1 | 2 | sodium chloride |