6ABW
Crystal structure of citrate synthase (Msed_0281) from Metallosphaera sedula in complex with acetyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-05-09 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 61.609, 94.806, 129.863 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.930 - 1.720 |
R-factor | 0.1522 |
Rwork | 0.150 |
R-free | 0.19560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gvm |
RMSD bond length | 0.019 |
RMSD bond angle | 1.963 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.940 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.092 | 0.293 |
Number of reflections | 39803 | 1928 |
<I/σ(I)> | 40.3 | |
Completeness [%] | 98.1 | |
Redundancy | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | 35% v/v (+/-)-2-Methyl-2,4- pentandiol (MPD), 0.1 M Bis-Tris, pH 5.0, 0.2 M ammonium acetate |