8G2E
PKM2 bound to compound 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-30 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.12723 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 84.810, 115.965, 131.841 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.660 - 1.838 |
R-factor | 0.1646 |
Rwork | 0.163 |
R-free | 0.19020 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.890 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.870 |
High resolution limit [Å] | 1.838 | 4.990 | 1.840 |
Rmerge | 0.038 | 0.030 | 0.138 |
Number of reflections | 53268 | 2657 | 2637 |
<I/σ(I)> | 29.5 | ||
Completeness [%] | 94.4 | 88.5 | 95.3 |
Redundancy | 3.9 | 4.5 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 200 mM ammonium sulfate and 20% polyethylene glycol 3350 |