1RKW
CRYSTAL STRUCTURE OF THE MULTIDRUG BINDING TRANSCRIPTIONAL REPRESSOR QACR BOUND TO PENTAMADINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.09 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 172.050, 172.050, 94.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.030 - 2.620 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jt6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.600 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.030 | 2.960 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Number of reflections | 41510 | |
| <I/σ(I)> | 0.309 | |
| Completeness [%] | 97.0 | 98.2 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | ammonium sulphate, acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
