5T5J
LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE
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 | 2016-03-10 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.378, 46.159, 92.107 |
Unit cell angles | 90.00, 92.56, 90.00 |
Refinement procedure
Resolution | 32.586 - 1.350 |
R-factor | 0.1064 |
Rwork | 0.105 |
R-free | 0.14070 |
RMSD bond length | 0.021 |
RMSD bond angle | 2.062 |
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] | 40.000 | 40.000 | 1.370 |
High resolution limit [Å] | 1.350 | 3.660 | 1.350 |
Rmerge | 0.074 | 0.048 | 0.723 |
Rmeas | 0.079 | 0.052 | 0.794 |
Rpim | 0.027 | 0.018 | 0.322 |
Total number of observations | 793282 | ||
Number of reflections | 100009 | ||
<I/σ(I)> | 9 | ||
Completeness [%] | 99.9 | 99.1 | 99.6 |
Redundancy | 7.9 | 7.9 | 5.7 |
CC(1/2) | 0.996 | 0.761 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PROTEIN CONCENTRATION 5-8 MG/ML IN 0.05 M HEPES BUFFER (pH 7.5) AND 0.15 M NACL. PRECIPITANT: 12% (W/W) PEG8000, 8% (W/V) ETHYLENE GLYCOL, 0.1 M HEPES (pH 7.5).PROTEIN CONCENTRATION 5-8 MG/ML IN 0.05 M HEPES BUFFER (pH 7.5) AND 0.15 M NACL. PRECIPITANT: 12% (W/W) PEG8000, 8% (W/V) ETHYLENE GLYCOL, 0.1 M HEPES (pH 7.5). DROPLETS RATIO: 1:1 DROPLETS RATIO: 1:1 |