4IQM
Crystal structure of the catalytic domain of human Pus1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115869 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.570, 42.310, 71.810 |
| Unit cell angles | 90.00, 117.11, 90.00 |
Refinement procedure
| Resolution | 19.733 - 1.800 |
| R-factor | 0.1883 |
| Rwork | 0.186 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4its |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.069 | 0.804 |
| Number of reflections | 29280 | |
| <I/σ(I)> | 15.6 | 1.75 |
| Completeness [%] | 98.3 | 99.1 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 28% w/v PEG4000, 0.2 M magnesium chloride, 0.1 M Tris-HCl pH 8.5, 1 mM spermine, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
