7XKG
Crystal structure of an intramolecular mesacyl-CoA transferase from the 3-hydroxypropionic acid cycle of Roseiflexus castenholzii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-12-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97892 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 364.413, 210.118, 73.476 |
Unit cell angles | 90.00, 95.81, 90.00 |
Refinement procedure
Resolution | 44.420 - 2.500 |
R-factor | 0.1604 |
Rwork | 0.159 |
R-free | 0.19190 |
Structure solution method | AB INITIO PHASING |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.147 | |
Rmeas | 0.156 | 0.492 |
Rpim | 0.059 | 0.189 |
Number of reflections | 188922 | 9443 |
<I/σ(I)> | 15.82 | 3.95 |
Completeness [%] | 99.7 | 99.2 |
Redundancy | 6.9 | 6.6 |
CC(1/2) | 0.956 | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291.15 | 14 % PEG4000, 0.1 M Sodium Citrate, 0.1 M Lithium sulfate |