7B7E
Room temperature X-ray structure of perdeuterated PLL lectin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2018-10-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.980 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 72.630, 89.280, 159.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.910 - 1.600 |
R-factor | 0.1506 |
Rwork | 0.150 |
R-free | 0.17020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5c9o |
RMSD bond length | 0.005 |
RMSD bond angle | 0.832 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 1.640 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.040 | 1.100 |
Number of reflections | 68418 | 5004 |
<I/σ(I)> | 25.3 | |
Completeness [%] | 99.9 | |
Redundancy | 5.6 | |
CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 sodium acetate, pD 4.2, 6% (w/v) PEG 4000 dissolved in D2O |