5X1W
PKM2 in complex with compound 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2012-08-08 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.823, 153.486, 94.207 |
Unit cell angles | 90.00, 103.52, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.000 |
R-factor | 0.2425 |
Rwork | 0.237 |
R-free | 0.28963 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5x1v |
RMSD bond length | 0.009 |
RMSD bond angle | 1.566 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 41460 | 2078 |
<I/σ(I)> | 8.4 | 2.4 |
Completeness [%] | 92.7 | 93.3 |
Redundancy | 2.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | PEG 3350, tryptone, MES |