7MHU
Sialidase24 apo
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 41 |
Unit cell lengths | 141.109, 141.109, 54.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.620 - 2.000 |
R-factor | 0.196 |
Rwork | 0.189 |
R-free | 0.20540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold T1089TS427_2 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.734 |
Data reduction software | MOSFLM (7.3.0) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX (1.19.1_4122) |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.620 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.272 | |
Number of reflections | 73015 | 4481 |
<I/σ(I)> | 6.4 | |
Completeness [%] | 100.0 | |
Redundancy | 12.3 | |
CC(1/2) | 0.994 | 0.100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 100 mM Bis-Tris, 20% polyethylene glycol monomethyl ether 5000 |