7CNS
Crystal structure of Thermococcus kodakaraensis aconitase X (holo-form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 102.444, 102.444, 115.849 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.847 - 1.902 |
R-factor | 0.1706 |
Rwork | 0.169 |
R-free | 0.20140 |
Structure solution method | MOLECULAR REPLACEMENT |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.847 | 46.847 | 2.020 |
High resolution limit [Å] | 1.900 | 5.670 | 1.900 |
Rmerge | 0.058 | 0.022 | 0.801 |
Rmeas | 0.068 | 0.026 | 0.952 |
Total number of observations | 318531 | ||
Number of reflections | 91030 | 3467 | 14281 |
<I/σ(I)> | 11.54 | 41.5 | 1.27 |
Completeness [%] | 98.4 | 98.7 | 95.5 |
Redundancy | 3.499 | 3.498 | 3.334 |
CC(1/2) | 0.999 | 0.999 | 0.557 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Pentaerythritol ethoxylate (15/4 EO/OH), ammonium sulfate, Bis-Tris |