4IP7
Structure of the S12D variant of human liver pyruvate kinase in complex with citrate and FBP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.140, 205.078, 83.910 |
| Unit cell angles | 90.00, 92.15, 90.00 |
Refinement procedure
| Resolution | 37.530 - 1.800 |
| R-factor | 0.1892 |
| Rwork | 0.187 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vgb |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.220 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.069 | 0.036 | 0.698 |
| Number of reflections | 237180 | ||
| <I/σ(I)> | 12.4 | ||
| Completeness [%] | 97.8 | 99.2 | 93.3 |
| Redundancy | 4.3 | 4.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 277 | 50 mM sodium citrate (pH 4.9), 26 mM MnCl2, 3-5% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
