4HTK
Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 2.17 x 10e+12 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 | 79.022, 79.022, 36.907 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.938 - 1.200 |
R-factor | 0.1344 |
Rwork | 0.134 |
R-free | 0.15160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.211 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.877 | 100.000 | 1.210 |
High resolution limit [Å] | 1.200 | 4.100 | 1.200 |
Rmerge | 0.061 | 0.019 | 0.527 |
Number of reflections | 36830 | ||
<I/σ(I)> | 8.3 | ||
Completeness [%] | 99.0 | 98.1 | 99.9 |
Redundancy | 6.8 | 6.4 | 6.1 |
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 |