5C9L
Crystal structure of native PLL lectin from Photorhabdus luminescens at 1.65 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 | 2013-08-27 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.005 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 71.120, 87.677, 157.691 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.150 - 1.650 |
| R-factor | 0.14158 |
| Rwork | 0.141 |
| R-free | 0.15894 |
| Structure solution method | SAD |
| RMSD bond length | 0.068 |
| RMSD bond angle | 2.397 |
| 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] | 76.750 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.048 | 0.154 |
| Number of reflections | 59360 | |
| <I/σ(I)> | 36.2 | 14.4 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 13.5 | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290 | 0.1 M Tris-HCl, 10% PEG 4000, 0.2 M CaCl2, pH 8.5 |
