8SSD
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 | 2022-04-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 96.177, 96.177, 356.040 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.850 - 2.400 |
Rwork | 0.265 |
R-free | 0.30100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bul |
RMSD bond length | 0.008 |
RMSD bond angle | 1.712 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.550 | 2.450 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.177 | 0.903 |
Rmeas | 0.187 | 0.954 |
Rpim | 0.061 | 0.306 |
Total number of observations | 711608 | 42258 |
Number of reflections | 76051 | 4396 |
<I/σ(I)> | 8.1 | 2.5 |
Completeness [%] | 100.0 | |
Redundancy | 9.4 | 9.6 |
CC(1/2) | 0.991 | 0.667 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277.15 | 0.1 M Sodium Acetate, pH 4.6, 2 M Sodium Formate |