8HMR
Crystal Structure of PKM2 mutant L144P
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-08-24 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9789 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.400, 151.769, 89.850 |
Unit cell angles | 90.00, 100.59, 90.00 |
Refinement procedure
Resolution | 42.010 - 2.600 |
R-factor | 0.26455 |
Rwork | 0.263 |
R-free | 0.29473 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gr4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.425 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.160 | 2.660 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.095 | 0.847 |
Rmeas | 0.109 | 0.970 |
Rpim | 0.054 | 0.469 |
Total number of observations | 261074 | 19161 |
Number of reflections | 63685 | 4557 |
<I/σ(I)> | 9 | 1.5 |
Completeness [%] | 98.0 | |
Redundancy | 4.1 | 4.2 |
CC(1/2) | 0.997 | 0.770 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.2 M Sodium chloride, 0.1 M HEPES pH7.0, 20% w/v PEG 6000 |