3ISE
Structure of mineralized Bfrb (double soak) from Pseudomonas aeruginosa to 2.8A 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 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 125.712, 203.206, 207.865 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.510 - 2.800 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3is7 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.553 |
| Data reduction software | DENZO |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (refmac_5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.510 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.170 | 0.753 |
| Number of reflections | 131241 | |
| <I/σ(I)> | 12.97 | 2.25 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 277 | 35% MPD, 100mM MES, 200mM Li2SO4, pH 6.0, vapor diffusion, temperature 277K |
