6XFO
Orthorhombic crystal form of Striga hermonthica Dwarf14 (ShD14)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-18 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.230, 83.330, 86.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.460 - 1.580 |
R-factor | 0.1771 |
Rwork | 0.176 |
R-free | 0.20460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dnp |
RMSD bond length | 0.017 |
RMSD bond angle | 2.074 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.3.6) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.180 | 46.180 | 1.610 |
High resolution limit [Å] | 1.580 | 8.660 | 1.580 |
Rmerge | 0.074 | 0.031 | 1.039 |
Rmeas | 0.077 | 0.032 | 1.081 |
Rpim | 0.020 | 0.011 | 0.296 |
Number of reflections | 72148 | 486 | 3543 |
<I/σ(I)> | 21.8 | 2.3 | |
Completeness [%] | 100.0 | 95.1 | 100 |
Redundancy | 14.2 | 10.6 | 13.2 |
CC(1/2) | 1.000 | 0.999 | 0.831 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris/Acetate pH 8.5, 0.2 M MgCl2, 20% PEG 8000 |