4HCW
Structure of a eukaryotic thiaminase-I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 104.560, 203.050, 309.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.300 - 2.705 |
R-factor | 0.2309 |
Rwork | 0.229 |
R-free | 0.26530 |
Structure solution method | SIRAS, pseudo-MAD phasing, molecular replacement |
RMSD bond length | 0.002 |
RMSD bond angle | 0.570 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.300 | 2.760 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.843 | |
Number of reflections | 89559 | |
<I/σ(I)> | 36.5 | 2.4 |
Completeness [%] | 99.8 | 97.7 |
Redundancy | 14.5 | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.7 M ammonium sulfate, 15% (v/v) glycerol, 1.7% (v/v) PEG 400, 85 mM HEPES , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |