5BO9
Structure of human sialyltransferase ST8SiaIII in complex with CMP-3FNeu5Ac and Sia-6S-LacNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.350, 94.874, 126.459 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.890 - 2.300 |
R-factor | 0.1871 |
Rwork | 0.185 |
R-free | 0.23040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bo8 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.872 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 75.890 | 75.890 | 2.380 |
High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
Rmerge | 0.087 | 0.025 | 0.686 |
Rpim | 0.044 | 0.013 | 0.347 |
Total number of observations | 166324 | 2937 | 16501 |
Number of reflections | 34645 | ||
<I/σ(I)> | 12.3 | 33.5 | 2.2 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 4.8 | 4.2 | 4.9 |
CC(1/2) | 0.998 | 0.999 | 0.674 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 18-21% PEG3350, 30 mM sodium tartrate, 100 mM sodium citrate |