1H16
Pyruvate Formate-Lyase (E.coli) in complex with Pyruvate and CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 54.900, 153.050, 205.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.530 |
| R-factor | 0.145 |
| Rwork | 0.145 |
| R-free | 0.16300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pfl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 22.300 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.600 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.042 * | 0.207 * |
| Total number of observations | 1104993 * | |
| Number of reflections | 128878 | |
| <I/σ(I)> | 28.93 | 7.52 |
| Completeness [%] | 98.6 | 89.8 |
| Redundancy | 8.6 | 4.39 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.3 | pH 7.30 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 10 | 1 | reservoir | 50 (mM) | pH7.5 | |
| 2 | 1 | drop | MOPS/NaOH | 25 (mM) | pH7.3 |
| 3 | 1 | drop | sodium oxamate | 50 (mM) | or sodium pyruvate |
| 4 | 1 | drop | 3 (mM) | ||
| 5 | 1 | drop | dithiothreitol | 1 (mM) | |
| 6 | 1 | drop | EDTA | 1 (mM) | |
| 7 | 1 | drop | 3 (mM) | ||
| 8 | 1 | drop | PEG5000 MME | 13 (%(w/v)) | |
| 9 | 1 | reservoir | PEG5000 MME | 22 (%(w/v)) |
