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 |
