6ABV
Crystal structure of citrate synthase (Msed_0281) from Metallosphaera sedula
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 | 61.711, 93.622, 130.228 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.110 - 1.800 |
R-factor | 0.1848 |
Rwork | 0.183 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gvm |
RMSD bond length | 0.021 |
RMSD bond angle | 1.971 |
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] | 65.120 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.077 | 0.308 |
Number of reflections | 34475 | 1703 |
<I/σ(I)> | 45.7 | |
Completeness [%] | 98.0 | |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 35% v/v (+/-)-2-Methyl-2,4- pentandiol (MPD), 0.1 M Bis-Tris, pH 5.0, and 0.2 M ammonium acetate |