6CVQ
Human Aprataxin (Aptx) H201Q bound to RNA-DNA, AMP and Zn product complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.571, 116.049, 117.215 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.409 - 1.650 |
| R-factor | 0.1204 |
| Rwork | 0.118 |
| R-free | 0.16770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ndf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.992 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.076 | 0.044 | 0.542 |
| Rmeas | 0.083 | 0.048 | 0.617 |
| Rpim | 0.034 | 0.020 | 0.289 |
| Total number of observations | 393424 | ||
| Number of reflections | 67271 | 7160 | 6283 |
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 99.4 | 99.9 | 94.2 |
| Redundancy | 5.8 | 5.9 | 4.1 |
| CC(1/2) | 0.997 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 277 | 100 mM HEPES, 25% w/v polyethylene glycol 3350 |
