4HTQ
Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 6.70 x 10e+11 X-ray photons
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.66658 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.922, 78.922, 36.868 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.903 - 1.399 |
| R-factor | 0.1321 |
| Rwork | 0.130 |
| R-free | 0.16300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.984 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 1.410 |
| High resolution limit [Å] | 1.400 | 4.790 | 1.400 |
| Rmerge | 0.077 | 0.026 | 0.539 |
| Number of reflections | 23422 | ||
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 99.3 | 98 | 97.2 |
| Redundancy | 7.1 | 6.1 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.73 | 293 | 0.100M sodium acetate, pH 4.73, 5% sodium chloride (w/v), 25% ethylene glycol (v/v), micro-seeded, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
