4S26
Crystal structure of Arabidopsis thaliana ThiC with bound imidazole ribonucleotide, S-adenosylhomocysteine, Fe4S4 cluster and Zn (monoclinic crystal 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 | 2014-02-06 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 175.911, 95.596, 71.414 |
Unit cell angles | 90.00, 104.22, 90.00 |
Refinement procedure
Resolution | 48.256 - 1.850 |
R-factor | 0.1688 |
Rwork | 0.167 |
R-free | 0.19810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n7q |
RMSD bond length | 0.008 |
RMSD bond angle | 1.074 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_1839) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
Rmerge | 0.072 | 0.039 | 0.462 |
Number of reflections | 94814 | ||
<I/σ(I)> | 6.8 | ||
Completeness [%] | 96.9 | 91.4 | 97.1 |
Redundancy | 2.8 | 3 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 298 | 100 mM imidazole, pH 6.6, 200 mM NaCl, and 20% (w/v) polyethylene glycol (PEG) 8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |