Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.458 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 134.620, 299.912, 144.663 |
Unit cell angles | 90.00, 112.60, 90.00 |
Refinement procedure
Resolution | 30.040 - 2.910 |
R-factor | 0.1962 |
Rwork | 0.194 |
R-free | 0.23190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.549 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.040 | 2.960 |
High resolution limit [Å] | 2.910 | 2.910 |
Rmerge | 0.267 | 1.526 |
Rmeas | 0.289 | 1.647 |
Rpim | 0.109 | 0.617 |
Total number of observations | 1591363 | 79070 |
Number of reflections | 228968 | 11282 |
<I/σ(I)> | 7.4 | 1.5 |
Completeness [%] | 99.2 | |
Redundancy | 7 | 7 |
CC(1/2) | 0.985 | 0.689 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | MES 100 mM pH 5.5-6.9, MPD 8-18% and magnesium acetate 20 mM |