Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-01 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9201 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 46.470, 104.175, 144.328 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.678 - 1.790 |
Rwork | 0.153 |
R-free | 0.18590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6myw |
RMSD bond length | 0.011 |
RMSD bond angle | 1.592 |
Data reduction software | XDS (BUILT=20180808) |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER (2.8.1) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.680 | 1.830 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.147 | 1.390 |
Rmeas | 0.159 | 1.513 |
Rpim | 0.060 | 0.589 |
Number of reflections | 33499 | 2315 |
<I/σ(I)> | 12.9 | |
Completeness [%] | 99.8 | 97.3 |
Redundancy | 13.3 | |
CC(1/2) | 0.998 | 0.745 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | Crystal Screen #20: 0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 25% w/v Polyethylene glycol 4,000 Protein dissolved in 100 mM KPi, pH 7.5 |