1RPW
Crystal Structure Of The Multidrug Binding Protein Qacr Bound To The Diamidine Hexamidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-04-14 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 171.800, 171.800, 94.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.980 - 2.900 |
R-factor | 0.229 |
Rwork | 0.229 |
R-free | 0.28000 |
Structure solution method | Difference Fourier methods |
Starting model (for MR) | 1jt6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.980 | |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.053 | 0.380 |
Number of reflections | 31376 | |
<I/σ(I)> | 6624 | 3.3 |
Completeness [%] | 98.3 | 98.3 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.62 | 295 | Ammonium Sulfate, Sodium Acetate, pH 4.62, VAPOR DIFFUSION, HANGING DROP, temperature 295K |