3I96
Ethanolamine Utilization Microcompartment Shell Subunit, EutS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 60.455, 60.455, 191.458 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.490 - 1.650 |
| R-factor | 0.163 |
| Rwork | 0.162 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cgi |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.401 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.000 | 55.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.067 | 0.045 | 0.531 |
| Number of reflections | 49926 | ||
| <I/σ(I)> | 14.1 | ||
| Completeness [%] | 99.9 | 98.7 | 100 |
| Redundancy | 13.1 | 12.3 | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 298 | 0.1M CHES, 1.22M ammonium sulfate, 0.15M sodium chloride, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
