7D2R
Crystal structure of Agrobacterium tumefaciens aconitase X mutant - S449C/C510V
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.760, 72.678, 58.986 |
Unit cell angles | 90.00, 99.68, 90.00 |
Refinement procedure
Resolution | 45.404 - 2.005 |
R-factor | 0.1895 |
Rwork | 0.188 |
R-free | 0.23250 |
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] | 45.404 | 45.404 | 2.130 |
High resolution limit [Å] | 2.000 | 5.970 | 2.000 |
Rmerge | 0.080 | 0.030 | 0.707 |
Rmeas | 0.095 | 0.036 | 0.843 |
Total number of observations | 208868 | ||
Number of reflections | 59959 | 2277 | 9671 |
<I/σ(I)> | 9.67 | 34.22 | 1.47 |
Completeness [%] | 99.6 | 99.5 | 98.7 |
Redundancy | 3.484 | 3.544 | 3.36 |
CC(1/2) | 0.998 | 0.999 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350, sodium chloride, Bis-Tris |