4UNZ
Structure of the A_Equine_Newmarket_2_93 H3 haemagglutinin in complex with 6SO4-Sialyl Lewis X
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.551, 125.751, 165.107 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.040 - 2.900 |
R-factor | 0.20088 |
Rwork | 0.198 |
R-free | 0.24797 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4unw |
RMSD bond length | 0.006 |
RMSD bond angle | 1.193 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.090 | 0.740 |
Number of reflections | 45995 | |
<I/σ(I)> | 14.4 | 2 |
Completeness [%] | 98.7 | 99.7 |
Redundancy | 4.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |