3CGI
Crystal structure of the PduU shell protein from the Pdu microcompartment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | H 3 |
Unit cell lengths | 74.140, 74.140, 218.021 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 61.590 - 1.800 |
R-factor | 0.205 |
Rwork | 0.203 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ewh |
RMSD bond length | 0.012 |
RMSD bond angle | 1.431 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 90.000 | 90.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.159 | 0.124 | 0.505 |
Number of reflections | 40948 | ||
<I/σ(I)> | 9 | ||
Completeness [%] | 99.2 | 100 | 93.5 |
Redundancy | 5 | 5.2 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 50 mM HEPES, 300 mM LiSO4, 20% PEG-3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |