5KXB
Wisteria floribunda lectin in complex with GalNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 121.191, 157.269, 55.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.330 |
R-factor | 0.1864 |
Rwork | 0.184 |
R-free | 0.22370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xtm |
RMSD bond length | 0.011 |
RMSD bond angle | 1.558 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.6.1) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.390 |
High resolution limit [Å] | 2.320 | 5.300 | 2.320 |
Rmerge | 0.083 | 0.040 | |
Rmeas | 0.089 | 0.043 | |
Rpim | 0.035 | 0.016 | 0.444 |
Total number of observations | 327129 | ||
Number of reflections | 45331 | ||
<I/σ(I)> | 7.6 | ||
Completeness [%] | 99.8 | 99.7 | 100 |
Redundancy | 7.2 | 7 | 7.3 |
CC(1/2) | 0.998 | 0.888 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291.15 | 0.2 M CaCl2, 0.1 M Bis-Tris pH 5.5, 45% (v/v) MPD |