Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-04-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.678, 50.193, 92.024 |
Unit cell angles | 90.00, 93.31, 90.00 |
Refinement procedure
Resolution | 48.600 - 1.650 |
R-factor | 0.1741 |
Rwork | 0.173 |
R-free | 0.18670 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 91.870 | 48.597 | 1.740 |
High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
Rmerge | 0.055 | 0.523 | |
Rmeas | 0.108 | 0.060 | 0.575 |
Rpim | 0.044 | 0.025 | 0.236 |
Total number of observations | 309238 | 10217 | 45529 |
Number of reflections | 53677 | 1793 | 7859 |
<I/σ(I)> | 9.1 | 19.2 | 2.8 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 5.8 | 5.7 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 13-18% PEG 4000, 150 mM Ammonium sulfate, 100 mM MES |