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 | 2015-07-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 |
Unit cell lengths | 46.002, 55.275, 67.942 |
Unit cell angles | 107.44, 98.91, 103.23 |
Refinement procedure
Resolution | 32.410 - 1.690 |
R-factor | 0.155 |
Rwork | 0.153 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5t9e |
RMSD bond length | 0.007 |
RMSD bond angle | 1.171 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.410 | 1.720 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.057 | 0.510 |
Number of reflections | 64687 | 3130 |
<I/σ(I)> | 13.77 | 1.1 |
Completeness [%] | 97.0 | 94.6 |
Redundancy | 1.96 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 20% PEG-4000 AND 100 MM SODIUM CITRATE, PH 5.5 WITH 30% (W/V) D-SORBITOL AS AN ADDITIVE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K |