7CP1
Crystal structure of isocitrate lyase in complex with succinate and itaconate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2019-07-15 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9779 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 131.320, 131.320, 284.882 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.033 - 2.580 |
R-factor | 0.1556 |
Rwork | 0.154 |
R-free | 0.19350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f8m |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.577 | 6.360 | 2.580 |
Rmerge | 0.151 | 0.066 | 0.670 |
Rmeas | 0.158 | 0.068 | 0.702 |
Rpim | 0.043 | 0.013 | 0.193 |
Number of reflections | 44429 | 3223 | 2800 |
<I/σ(I)> | 5.9 | ||
Completeness [%] | 95.1 | 93.4 | 92.4 |
Redundancy | 10.4 | 25.9 | 9.4 |
CC(1/2) | 0.999 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.6 M sodium phosphate, 1.2 M potassium phosphate, 0.1 M imidazole (pH 8.5), 250 mM sodium chloride |