8AD2
Tobacco lectin Nictaba in complex with triacetylchitotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-08-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.660, 146.159, 81.908 |
Unit cell angles | 90.00, 95.87, 90.00 |
Refinement procedure
Resolution | 54.220 - 2.000 |
R-factor | 0.1961 |
Rwork | 0.196 |
R-free | 0.22610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo |
RMSD bond length | 0.013 |
RMSD bond angle | 1.251 |
Data reduction software | XDS (20200131) |
Data scaling software | XDS (20200131) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.390 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.132 | 1.109 |
Number of reflections | 97998 | 11697 |
<I/σ(I)> | 8.01 | 1.23 |
Completeness [%] | 93.4 | 69.2 |
Redundancy | 4.06 | 3.62 |
CC(1/2) | 0.996 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 287 | 100 mM ZnAc, 100 mM ZnCl2, 100 mM Bis-Tris pH 7.5, 20 % Medium smear. Soaked and cryoprotected in ML supplemented with 5% (v/v) glycerol, 5% (v/v) ethylene glycol , 5% (v/v) DMSO, 1 mM triacetylchitotriose. |