2Y7P
DntR Inducer Binding Domain in Complex with Salicylate. Trigonal crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Wavelength(s) | 1.82, 0.976 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.698, 95.698, 67.404 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 82.760 - 1.850 |
| R-factor | 0.18182 |
| Rwork | 0.180 |
| R-free | 0.21599 |
| Structure solution method | S-SAD/MOLECULAR REPLACEMENT |
| Starting model (for MR) | INITIAL S-SAD MODEL |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.884 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.300 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.090 | 0.550 |
| Number of reflections | 29716 | |
| <I/σ(I)> | 11.2 | 2.9 |
| Completeness [%] | 98.9 | 99.8 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M NA/K TARTRATE, 0.1 M TRIS PH 8.0-8.5; PEG 8000 28-30% |
