3RM5
Structure of Trifunctional THI20 from Yeast
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 | CCD |
Collection date | 2009-03-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.704, 140.096, 143.273 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.680 |
R-factor | 0.2398 |
Rwork | 0.238 |
R-free | 0.27860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 1YAF 1jxh |
RMSD bond length | 0.006 |
RMSD bond angle | 0.912 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.170 | 50.000 | 2.800 |
High resolution limit [Å] | 2.680 | 5.810 | 2.680 |
Rmerge | 0.094 | 0.056 | 0.329 |
Number of reflections | 31670 | ||
<I/σ(I)> | 7.1 | ||
Completeness [%] | 92.8 | 92 | 70 |
Redundancy | 2.8 | 3.1 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 10-14% Peg 8K, 0.2 M Calcium Acetate, 0.1 M Imidazole, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |