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 |
