2IHZ
Crystal structure of multifunctional sialyltransferase from pasteurella multocida with CMP-3F-Neu5Ac and alpha-lactose bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-21 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.482, 64.532, 64.410 |
Unit cell angles | 90.00, 99.03, 90.00 |
Refinement procedure
Resolution | 63.630 - 2.000 |
R-factor | 0.21276 |
Rwork | 0.210 |
R-free | 0.25493 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ex1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.177 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.940 | 2.090 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 33274 | |
<I/σ(I)> | 10.28 | 2.15 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG MME 2000, 0.2 M NaBr, 40.4% Triton X-100, VAPOR DIFFUSION, HANGING DROP, temperature 293K |