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 |
