9FUO
Crystal structure of SNAr1.3 (K39A)
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 | 2024-04-27 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 70.188, 70.188, 119.281 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.160 - 1.810 |
R-factor | 0.1965 |
Rwork | 0.194 |
R-free | 0.23130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.764 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.180 | 1.840 |
High resolution limit [Å] | 1.810 | 1.810 |
Number of reflections | 31737 | 1575 |
<I/σ(I)> | 12.7 | |
Completeness [%] | 100.0 | |
Redundancy | 20.1 | |
CC(1/2) | 1.000 | 0.300 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M sodium citrate tribasic dihydrate, 20% PEG 3350 |