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 |
