4CQQ
H5 (VN1194) Ser227Asn/Gln196Arg Mutant Haemagglutinin in Complex with Avian Receptor Analogue 3'SLN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 101.668, 101.668, 452.440 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 150.810 - 2.550 |
| R-factor | 0.19888 |
| Rwork | 0.196 |
| R-free | 0.24565 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bgw |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.051 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.700 | 2.690 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.080 | 0.690 |
| Number of reflections | 29806 | |
| <I/σ(I)> | 14.7 | 2.6 |
| Completeness [%] | 99.3 | 97.3 |
| Redundancy | 9.3 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M HEPES/MOPS PH 7.0, 0.05 M MGCL2, 28-30% PEG 550 MME, SEEDED WITH CRUSHED WILD-TYPE VN1194 HA CRYSTALS |
