4H6D
Crystal structure of PLP-soaked HMP synthase Thi5 from S. cerevisiae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.93940 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 79.480, 191.840, 101.890 |
Unit cell angles | 90.00, 112.72, 90.00 |
Refinement procedure
Resolution | 19.922 - 2.900 |
R-factor | 0.2231 |
Rwork | 0.221 |
R-free | 0.26260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h65 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.137 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CCP4 |
Refinement software | PHENIX ((phenix.refine: 1.6.1_353)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.980 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.123 | 0.896 |
Number of reflections | 61802 | |
<I/σ(I)> | 12.9 | 2.3 |
Completeness [%] | 99.1 | 98.4 |
Redundancy | 4.82 | 4.44 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291.15 | 18% 2-propanol, 0.1 M sodium citrate, pH 5.5, 20% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K |