6WP3
Pyruvate Kinase M2 Mutant-K433Q
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 | 2015-09-03 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000029 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 112.378, 94.226, 109.638 |
Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
Resolution | 47.110 - 1.840 |
R-factor | 0.2043 |
Rwork | 0.203 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b2d |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.113 | 47.113 | 1.940 |
High resolution limit [Å] | 1.840 | 5.820 | 1.840 |
Rmerge | 0.024 | 0.608 | |
Rmeas | 0.064 | 0.030 | 0.729 |
Rpim | 0.033 | 0.016 | 0.377 |
Total number of observations | 356710 | 9860 | 52319 |
Number of reflections | 96636 | 2800 | 14320 |
<I/σ(I)> | 15 | 37.3 | 2.4 |
Completeness [%] | 98.0 | 87.1 | 99.8 |
Redundancy | 3.7 | 3.5 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.25 M NaNO3, 15% PEG 4000 |