5LL2
Structure of Isoleucine 2-epimerase from Lactobacillus buchneri (apo form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-04 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.160, 161.780, 186.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.930 - 2.600 |
R-factor | 0.24747 |
Rwork | 0.244 |
R-free | 0.31599 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.842 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.120 | 0.616 |
Number of reflections | 55147 | |
<I/σ(I)> | 9.3 | 2 |
Completeness [%] | 98.5 | 98.1 |
Redundancy | 3.9 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12 to 18 % PEG3350 and 100 mM Lithium Citrate |