6NUB
Pyruvate Kinase M2 Mutant - S437Y in Complex with L-serine
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 | 2017-09-17 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000030 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 110.110, 94.230, 109.130 |
Unit cell angles | 90.00, 95.63, 90.00 |
Refinement procedure
Resolution | 36.806 - 1.700 |
R-factor | 0.1551 |
Rwork | 0.154 |
R-free | 0.17420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b6u |
RMSD bond length | 0.007 |
RMSD bond angle | 0.858 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.960 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.054 | 0.312 |
Number of reflections | 121214 | 17221 |
<I/σ(I)> | 25.9 | 4.9 |
Completeness [%] | 99.6 | 97.3 |
Redundancy | 7 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 0.2 M SODIUM THIOCYANATE, 100 mM BIS-TRIS PROPANE, 16-20% PEG 3350 |