6WKB
Human S-adenosylmethionine synthetase co-crystallized with UppNHp and Met
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 144.191, 144.191, 188.196 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.200 - 2.550 |
R-factor | 0.2225 |
Rwork | 0.220 |
R-free | 0.26550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a1i |
RMSD bond length | 0.001 |
RMSD bond angle | 0.475 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.200 | 2.660 |
High resolution limit [Å] | 2.550 | 2.550 |
Number of reflections | 38275 | 4574 |
<I/σ(I)> | 18.3 | 0.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 39.1 | |
CC(1/2) | 0.999 | 0.645 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292.15 | 10% PEG 3350, 0.1 M Bis-Tris pH 6.5, 10% ethylene glycol |