4MBQ
TPR3 of FimV from P. aeruginosa (PAO1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.026, 58.514, 136.695 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.449 - 2.006 |
R-factor | 0.2126 |
Rwork | 0.208 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.541 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX ((AutoMR)) |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 18054 | |
<I/σ(I)> | 20.8 | 2.5 |
Completeness [%] | 94.6 | 76.2 |
Redundancy | 13.7 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 1M ammonium phosphate, 100mM tri-sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |