5LL3
Structure of the Isoleucine 2-epimerase from Lactobacillus buchneri (PLP complex 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) | 0.9700 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.460, 165.400, 188.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.150 |
| R-factor | 0.17865 |
| Rwork | 0.177 |
| R-free | 0.21780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2eo5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.470 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.250 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.117 | 0.619 |
| Number of reflections | 98052 | |
| <I/σ(I)> | 14.5 | 3.8 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12 to 18 % PEG3350 and 100 mM Lithium Citrate, soaking in 1.3 mM PLP |
