5T55
LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH GLOBOTETRAOSE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-10 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.681, 88.233, 110.782 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.861 - 1.430 |
R-factor | 0.1067 |
Rwork | 0.105 |
R-free | 0.14660 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.986 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.450 |
High resolution limit [Å] | 1.430 | 3.880 | 1.430 |
Rmerge | 0.068 | 0.031 | 0.471 |
Rmeas | 0.070 | 0.032 | 0.520 |
Rpim | 0.019 | 0.009 | 0.213 |
Total number of observations | 1022165 | ||
Number of reflections | 79081 | ||
<I/σ(I)> | 8.2 | ||
Completeness [%] | 96.5 | 99.8 | 56.3 |
Redundancy | 12.9 | 14 | 4.7 |
CC(1/2) | 0.999 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PROTEIN CONCENTRATION 5-8 MG/ML IN 0.05 M HEPES BUFFER (pH 7.5) AND 0.15 M NACL, PRECIPITANT: 28% (W/W) PEG6000, 0.5 M LITHIUM CHLORIDE, , 0.1 M TRIS (pH 8.5), DROPLETS RATIO: 1:1 |