8BP7
Citrate-bound hexamer of Synechococcus elongatus citrate synthase
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 | 2021-10-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976260 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 170.460, 170.460, 545.440 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.390 - 2.710 |
R-factor | 0.2315 |
Rwork | 0.229 |
R-free | 0.28020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8bei |
RMSD bond length | 0.009 |
RMSD bond angle | 1.214 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.390 | 2.807 |
High resolution limit [Å] | 2.710 | 2.710 |
Number of reflections | 127720 | 12503 |
<I/σ(I)> | 9.19 | 0.68 |
Completeness [%] | 99.9 | |
Redundancy | 28.6 | |
CC(1/2) | 0.998 | 0.250 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M citrate pH 5.5, 2.0 M ammonium sulfate |