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 |