1H18
Pyruvate Formate-Lyase (E.coli) in complex with Pyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 158.905, 158.905, 159.922 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.300 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pfl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 21.900 * |
| 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 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.300 * |
| Rmerge | 0.122 * | 0.409 * |
| Total number of observations | 908602 * | |
| Number of reflections | 86674 * | |
| <I/σ(I)> | 14.66 | 3.39 |
| Completeness [%] | 95.2 * | 92.1 * |
| Redundancy | 9.83 | 5.1 |
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)) |
