3U4X
Crystal structure of a lectin from Camptosema pedicellatum seeds in complex with 5-bromo-4-chloro-3-indolyl-alpha-D-mannose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-18 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.42 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 65.940, 66.780, 107.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.510 - 2.160 |
R-factor | 0.1925 |
Rwork | 0.190 |
R-free | 0.23680 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.924 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.510 | 2.215 |
High resolution limit [Å] | 2.160 | 2.160 |
Rmerge | 0.147 | |
Number of reflections | 12708 | |
Completeness [%] | 94.7 | 94.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 310 | Hepes, Ammonium sulfate, PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K |