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 |
