3IS7
Structure of mineralized Bfrb from Pseudomonas aeruginosa to 2.1A 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 | 2009-03-13 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 125.806, 202.756, 207.546 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.040 - 2.100 |
R-factor | 0.196 |
Rwork | 0.193 |
R-free | 0.24400 |
Structure solution method | MOLREP |
Starting model (for MR) | 1bfr |
RMSD bond length | 0.021 |
RMSD bond angle | 1.824 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (refmac_5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.040 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.109 | 0.669 |
Number of reflections | 309226 | |
<I/σ(I)> | 16.162 | 2.007 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 7 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 277 | 35% MPD, 100mM MES, 200mM Li2SO4, pH 6.0, vapor diffusion, temperature 277K |