4S29
Crystal structure of Arabidopsis thaliana ThiC with bound imidazole ribonucleotide and Fe
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 | 2014-03-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 107.292, 107.292, 87.845 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.459 - 1.382 |
R-factor | 0.1199 |
Rwork | 0.119 |
R-free | 0.14330 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4n7q |
RMSD bond length | 0.005 |
RMSD bond angle | 1.054 |
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 | 1.430 |
High resolution limit [Å] | 1.380 | 2.970 | 1.380 |
Rmerge | 0.054 | 0.038 | 0.317 |
Number of reflections | 118249 | ||
<I/σ(I)> | 8.1 | ||
Completeness [%] | 98.8 | 99.8 | 93.7 |
Redundancy | 5.4 | 5.3 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 100 mM Na acetate, pH5.3-5.6, 1-9%(v/v) 1,4 butanediol, pH 5.5, vapor diffusion, hanging drop, temperature 298K |