6WP5
Pyruvate Kinase M2 mutant-S37D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9786032 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.625, 117.567, 109.965 |
| Unit cell angles | 90.00, 112.63, 90.00 |
Refinement procedure
| Resolution | 19.840 - 2.170 |
| R-factor | 0.2186 |
| Rwork | 0.216 |
| R-free | 0.25950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b6u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.943 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.840 | 19.840 | 2.290 |
| High resolution limit [Å] | 2.170 | 6.860 | 2.170 |
| Rmerge | 0.069 | 0.020 | 0.581 |
| Rmeas | 0.092 | 0.027 | 0.767 |
| Rpim | 0.047 | 0.014 | 0.391 |
| Total number of observations | 13163 | 65318 | |
| Number of reflections | 116911 | 3622 | 17088 |
| <I/σ(I)> | 13.8 | 45.2 | 2.2 |
| Completeness [%] | 99.7 | 95.5 | 99.9 |
| Redundancy | 3.8 | 3.6 | 3.8 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.2 M NaBr, 0.1 M Bis-Tris Propane, 16-20% PEG 3350 |
