Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-04 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 92.310, 92.310, 100.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.198 - 1.200 |
Rwork | 0.117 |
R-free | 0.13530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a39 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.320 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.198 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmeas | 0.053 | 0.483 |
Number of reflections | 135228 | 9151 |
<I/σ(I)> | 26.7 | 3.2 |
Completeness [%] | 99.8 | 96.3 |
Redundancy | 14 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 12 mg/mL protein in 20 mM pH 8 Tris-HCl mixed 2:1 with 0.15 M sodium citrate, 0.8 M ammonium sulfate, 1 M lithium sulfate |