4X3B
A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.210, 78.210, 37.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.550 - 2.100 |
R-factor | 0.1904 |
Rwork | 0.186 |
R-free | 0.22880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 193l |
RMSD bond length | 0.017 |
RMSD bond angle | 0.915 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.550 | 2.300 | |
High resolution limit [Å] | 2.100 | 20.000 | 2.100 |
Rmerge | 0.251 | 0.286 | 0.408 |
Rmeas | 0.263 | 0.312 | 0.464 |
Total number of observations | 52295 | ||
Number of reflections | 6784 | 7 | 1488 |
<I/σ(I)> | 5.95 | 8.33 | 2.75 |
Completeness [%] | 94.5 | 53.8 | 89.1 |
Redundancy | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4 | 293 | 0.1 M Sodium Acetate pH 4.0, 8% (w/v) NaCl |