4H65
Crystal structure of SeMet derivative of HMP synthase Thi5 from S. cerevisiae
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-01-26 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.97795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.440, 109.210, 122.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.998 - 2.600 |
R-factor | 0.2141 |
Rwork | 0.211 |
R-free | 0.25420 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.312 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CCP4 |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.620 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.110 | 1.293 |
Number of reflections | 24539 | |
<I/σ(I)> | 25.14 | 2.85 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.37 | 19.39 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 291.15 | 0.2 M potassium thiocyanate, 0.1 M Bis-Tris, pH 5.7, 27% PEG3350, 10% dodecyl-beta-D-maltoside, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K |