5X0I
Crystal structure of PKM2 R399E mutant complexed with FBP and serine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.975 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 116.601, 137.875, 149.709 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.640 |
R-factor | 0.18194 |
Rwork | 0.180 |
R-free | 0.21844 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b2d |
RMSD bond length | 0.016 |
RMSD bond angle | 1.477 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.730 |
High resolution limit [Å] | 2.640 | 2.640 |
Rmerge | 0.491 | |
Number of reflections | 72242 | |
<I/σ(I)> | 16.59 | 4 |
Completeness [%] | 99.9 | |
Redundancy | 4.8 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | KCl, Tris, PEG3350 |