5FV9
Crystal structure of GalNAc-T2 in complex with compound 16d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 116.493, 121.748, 250.155 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 250.150 - 2.070 |
R-factor | 0.19113 |
Rwork | 0.190 |
R-free | 0.24685 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dot |
RMSD bond length | 0.017 |
RMSD bond angle | 1.996 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.120 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.060 | 0.630 |
Number of reflections | 215817 | |
<I/σ(I)> | 15.6 | 2.6 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 5.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |