5X1V
PKM2 in complex with compound 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2012-04-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.468, 151.658, 92.079 |
Unit cell angles | 90.00, 102.44, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.2376 |
Rwork | 0.234 |
R-free | 0.27381 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in-house structure |
RMSD bond length | 0.010 |
RMSD bond angle | 1.718 |
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 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 122943 | 6260 |
<I/σ(I)> | 20.7 | 3 |
Completeness [%] | 98.3 | 99.4 |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | PEG 3350, tryptone, MES |