8B97
N-terminal beta-trefoil lectin domain of the Laccaria bicolor lectin in complex with N-acetyl-lactosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.939 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 52.472, 61.026, 44.549 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.550 - 0.970 |
R-factor | 0.1411 |
Rwork | 0.141 |
R-free | 0.15240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y9f |
RMSD bond length | 0.006 |
RMSD bond angle | 1.145 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.550 | 1.020 |
High resolution limit [Å] | 0.970 | 0.970 |
Rmeas | 0.080 | |
Rpim | 0.021 | 0.071 |
Number of reflections | 82583 | 9744 |
<I/σ(I)> | 31.4 | 10.9 |
Completeness [%] | 97.0 | 80.1 |
Redundancy | 12.4 | 9.1 |
CC(1/2) | 0.998 | 0.962 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% (w/v) PEG 6000, 0.1 M sodium acetate, pH 5.0, and 0.2 M ammonium chloride |