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 |