2XTX
Structure of QnrB1 (M102R-Trypsin Treated), a plasmid-mediated fluoroquinolone resistance protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 93 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 101.065, 101.065, 275.609 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.748 - 2.200 |
R-factor | 0.1946 |
Rwork | 0.193 |
R-free | 0.22220 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 0.978 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.060 | 0.370 |
Number of reflections | 35308 | |
<I/σ(I)> | 27 | 6 |
Completeness [%] | 99.3 | 99.5 |
Redundancy | 7.8 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | 293 | 100 MM CITRATE/PHOSPHATE PH 4.5, 1 M AMMONIUM SULFATE AT 20 DEGREES C |