8EDS
Escherichia coli pyruvate kinase (PykF) P70Q
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2013-09-13 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.848, 244.357, 131.799 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.800 - 2.100 |
R-factor | 0.2049 |
Rwork | 0.204 |
R-free | 0.22290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yng |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASES |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.800 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.039 | 0.342 |
Number of reflections | 72182 | 6936 |
<I/σ(I)> | 16.28 | 2.7 |
Completeness [%] | 99.3 | 96.64 |
Redundancy | 1.9 | |
CC(1/2) | 0.999 | 0.794 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M (0.2M DL-Glutamic acid monohydrate; 0.2M DL-Alanine; 0.2M Glycine; 0.2M DL-Lysine monohydrochloride; 0.2M DL-Serine), 0.1M (1.0M Imidazole; MES monohydrate (acid)), 30% (40% v/v Glycerol; 20% w/v PEG 4000) |