6B6U
Pyruvate Kinase M2 mutant - S437Y
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2016-09-17 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000030 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 110.350, 93.610, 109.360 |
Unit cell angles | 90.00, 95.64, 90.00 |
Refinement procedure
Resolution | 28.985 - 1.350 |
R-factor | 0.1312 |
Rwork | 0.130 |
R-free | 0.14940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gr4 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.960 |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.985 | 28.985 | 1.230 |
High resolution limit [Å] | 1.200 | 5.370 | 1.200 |
Rmerge | 0.055 | 0.024 | 1.164 |
Rmeas | 0.059 | 0.026 | 1.374 |
Total number of observations | 1908333 | ||
Number of reflections | 297532 | 3664 | 8667 |
<I/σ(I)> | 19.37 | 62.58 | 0.81 |
Completeness [%] | 86.5 | 91.8 | 34.2 |
Redundancy | 6.414 | 6.979 | 3.516 |
CC(1/2) | 0.999 | 0.999 | 0.467 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | Bis-Tris propane, Sodium thicynate, PEG3350 |