5C9O
Crystal structure of recombinant PLL lectin from Photorhabdus luminescens at 1.5 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.967 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 71.787, 87.825, 158.336 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.170 - 1.500 |
| R-factor | 0.13208 |
| Rwork | 0.131 |
| R-free | 0.15170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c9l |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.534 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.170 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.062 | 0.361 |
| Number of reflections | 80153 | |
| <I/σ(I)> | 28.2 | 6.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.4 | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290.15 | 0.1 M Tris-HCl, 2.5 % ethanol, pH 8.5 |
