3SRF
Human M1 pyruvate kinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-02-15 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 238.003, 192.222, 109.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.845 |
R-factor | 0.2239 |
Rwork | 0.221 |
R-free | 0.28043 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.918 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 109.110 | 109.110 | 2.920 |
High resolution limit [Å] | 2.845 | 12.720 | 2.845 |
Rmerge | 0.098 | 0.057 | 0.346 |
Number of reflections | 107263 | ||
<I/σ(I)> | 6.1 | 11.5 | 2.3 |
Completeness [%] | 95.5 | 95 | 95 |
Redundancy | 2.1 | 2.2 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 290 | 10-16% polyethyleneglycol 8000, 20 mM triethanolamine-HCl buffer (pH 7.2), 50 mM MgCl2, 100 mM KCl, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K |