5T54
LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH BLOOD GROUP A ANTIGEN
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 | 2015-09-05 |
Detector | RAYONIX MX340-HS |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.829, 44.820, 65.771 |
Unit cell angles | 90.00, 100.05, 90.00 |
Refinement procedure
Resolution | 38.814 - 1.650 |
R-factor | 0.1511 |
Rwork | 0.150 |
R-free | 0.17710 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.016 |
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 | 1.680 |
High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
Rmerge | 0.063 | 0.036 | 0.300 |
Rmeas | 0.075 | ||
Rpim | 0.039 | ||
Total number of observations | 178921 | ||
Number of reflections | 52931 | ||
<I/σ(I)> | 8.4 | ||
Completeness [%] | 96.9 | 93.9 | 74.3 |
Redundancy | 3.4 | 3.6 | 2.2 |
CC(1/2) | 0.997 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | PROTEIN CONCENTRATION 5-8 MG/ML IN 0.05 M HEPES BUFFER (pH 7.5) AND 0.15 M NACL, PRECIPITANT: 25% (W/W) PEG1500, 0.1 M NACL, 0.1 M BIS-TRI PROPANE (pH 9.0), DROPLETS RATIO: 1:1 |