8D6S
Rana catesbeiana saxiphilin mutant - Y558A:STX (co-crystal)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033167 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.976, 107.135, 253.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.370 - 2.600 |
R-factor | 0.2334 |
Rwork | 0.232 |
R-free | 0.26170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6o0f |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.370 | 2.650 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.115 | |
Number of reflections | 81054 | 4377 |
<I/σ(I)> | 12.5 | 0.8 |
Completeness [%] | 99.9 | |
Redundancy | 13.4 | |
CC(1/2) | 0.998 | 0.458 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.08-0.2 M sodium cacodylate, pH 6.5, 5% PEG8000, 33% MPD, STX:Saxiphilin molar ratio 1.1:1 |