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)) |