8SSE
Methionine synthase, C-terminal fragment, Cobalamin and Reactivation Domains from Thermus thermophilus HB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 166.135, 95.844, 238.745 |
Unit cell angles | 90.00, 91.96, 90.00 |
Refinement procedure
Resolution | 49.295 - 3.150 |
Rwork | 0.245 |
R-free | 0.30670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bul |
RMSD bond length | 0.011 |
RMSD bond angle | 1.929 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.295 | 3.230 |
High resolution limit [Å] | 3.150 | 3.150 |
Rmerge | 0.192 | 0.973 |
Rmeas | 0.228 | 1.152 |
Rpim | 0.121 | 0.609 |
Total number of observations | 15918 | |
Number of reflections | 64421 | 4542 |
<I/σ(I)> | 4.6 | 1.2 |
Completeness [%] | 98.9 | |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.989 | 0.583 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277.15 | 0.1 M Bis-Tris Propane, pH 7, 60% v/v Tacismate, pH 7, 5% PEG 300, 10% ethylene glycol, 1.5 mM cyanocobalamin |