8QWB
Crystal structure of citrate synthase from Methylophaga sulfidovorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-08-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 155.690, 96.610, 203.100 |
Unit cell angles | 90.00, 110.41, 90.00 |
Refinement procedure
Resolution | 48.310 - 3.201 |
Rwork | 0.282 |
R-free | 0.32450 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.310 | 48.310 | 3.290 |
High resolution limit [Å] | 3.200 | 14.320 | 3.200 |
Rmerge | 0.131 | 0.043 | 2.499 |
Rmeas | 0.142 | 0.047 | 2.709 |
Number of reflections | 636593 | 1079 | 6755 |
<I/σ(I)> | 10.29 | ||
Completeness [%] | 98.9 | ||
Redundancy | 6.9 | ||
CC(1/2) | 0.998 | 0.998 | 0.431 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.0 M Lithium chloride, 0.1 M Citric Acid pH 5.0, 10% PEG 6000, 5mM oxaloacetic acid |