3PAC
Crystal structure of PduT a trimeric bacterial microcompartment protein with 4Fe-4S cluster binding site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-30 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.933 |
Spacegroup name | P 63 |
Unit cell lengths | 67.680, 67.680, 62.030 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.710 - 1.860 |
R-factor | 0.20394 |
Rwork | 0.199 |
R-free | 0.25150 |
Structure solution method | SAD |
RMSD bond length | 0.023 |
RMSD bond angle | 2.068 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.840 | 1.960 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.035 | 0.220 |
Number of reflections | 13647 | |
<I/σ(I)> | 18.5 | 3.7 |
Completeness [%] | 100.0 | 98 |
Redundancy | 8.2 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | 0.1M NaCl, 0.1M Bicine, 25% PEG 550, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | 0.1M NaCl, 0.1M Bicine, 25% PEG 550, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |