3ISF
Structure of non-mineralized Bfrb (as-isolated) from Pseudomonas aeruginosa to 2.07A Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-15 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.6531 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 122.761, 126.274, 168.553 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.020 - 2.070 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3is7 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.871 |
Data reduction software | DENZO |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.020 | 2.140 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.090 | 0.504 |
Number of reflections | 79588 | |
<I/σ(I)> | 20.279 | 2.375 |
Completeness [%] | 99.5 | 97.8 |
Redundancy | 6.9 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 277 | 35% MPD, 100mM TRIS, 200mM ammonium sulfate, pH 8.5, vapor diffusion, temperature 277K |