5EYY
Tetragonal Form of Centrolobium tomentosum seed lectin (CTL) complexed with Man1-3Man-OMe.
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 | 2014-07-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.47 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 72.580, 72.580, 128.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.459 - 1.902 |
R-factor | 0.1566 |
Rwork | 0.156 |
R-free | 0.17720 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.886 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.190 | 32.459 | 2.000 |
High resolution limit [Å] | 1.902 | 6.010 | 1.900 |
Rmerge | 0.038 | 0.165 | |
Rmeas | 0.072 | ||
Rpim | 0.025 | 0.014 | 0.063 |
Total number of observations | 219670 | 7667 | 29076 |
Number of reflections | 27589 | ||
<I/σ(I)> | 19.1 | 25 | 10.2 |
Completeness [%] | 99.0 | 96.3 | 94.3 |
Redundancy | 8 | 7.8 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | Peg 8000, 2-Pentanediol, HEPES sodium |