4S2A
Crystal structure of Caulobacter crescentus ThiC with Fe4S4 cluster at remote site (holo form)
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 | PIXEL |
Collection date | 2012-12-08 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.657, 68.922, 97.620 |
Unit cell angles | 90.00, 120.30, 90.00 |
Refinement procedure
Resolution | 45.550 - 2.930 |
R-factor | 0.197 |
Rwork | 0.194 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3epn |
RMSD bond length | 0.002 |
RMSD bond angle | 0.959 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.030 |
High resolution limit [Å] | 2.930 | 6.310 | 2.930 |
Rmerge | 0.153 | 0.072 | 0.517 |
Number of reflections | 13613 | ||
<I/σ(I)> | 5.7 | ||
Completeness [%] | 94.2 | 89.8 | 97.3 |
Redundancy | 2.4 | 2.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.2 | 298 | 140 mM HEPES, pH 9.2, and 7.5% (w/v) PEG8000, vapor diffusion, hanging drop, temperature 298K |