7CNR
Crystal structure of Thermococcus kodakaraensis aconitase X (apo-form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 141.720, 141.720, 278.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.288 - 3.390 |
R-factor | 0.1841 |
Rwork | 0.182 |
R-free | 0.22530 |
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] | 49.312 | 49.312 | 3.590 |
High resolution limit [Å] | 3.390 | 9.980 | 3.390 |
Rmerge | 0.187 | 0.027 | 1.263 |
Rmeas | 0.203 | 0.030 | 1.373 |
Total number of observations | 497752 | ||
Number of reflections | 74870 | 2913 | 11874 |
<I/σ(I)> | 9.51 | 49.61 | 1.39 |
Completeness [%] | 99.7 | 99 | 98.5 |
Redundancy | 6.648 | 6.07 | 6.479 |
CC(1/2) | 0.997 | 0.999 | 0.574 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350, ammonium citrate tribasic |