4NHM
Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.2716 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 169.419, 67.564, 71.495 |
| Unit cell angles | 90.00, 105.31, 90.00 |
Refinement procedure
| Resolution | 46.940 - 1.900 |
| Rwork | 0.145 |
| R-free | 0.17040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kt7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.249 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.3) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.064 | 0.037 | 0.923 |
| Number of reflections | 61321 | ||
| <I/σ(I)> | 9 | 35.79 | 2.28 |
| Completeness [%] | 99.4 | 99.5 | 98.5 |
| Redundancy | 6.6 | 6.5 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.8 mM MnCl2, 1.1 mM UN9, 0.2 M sodium citrate, 20% PEG 3350, vapor diffusion sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP |
