2DRJ
Xray structure of alpha-2,3/8-sialyltransferase CstII F91Y mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-11-23 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.514 |
Spacegroup name | I 4 |
Unit cell lengths | 116.653, 116.653, 44.086 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.810 - 2.250 |
R-factor | 0.197 |
Rwork | 0.194 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ro7 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.788 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.066 | 0.185 |
Number of reflections | 13458 | |
<I/σ(I)> | 23.1 | |
Completeness [%] | 94.3 | 65.4 |
Redundancy | 3.9 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 283 | 0.1M TEA pH 7.5, 20% PEG 400, 10% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 283K |