2IHK
crystal structure of multifunctional sialyltransferase from pasteurella multocida with CMP-3F(equatorial)-Neu5Ac bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97947 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.890, 65.022, 64.795 |
Unit cell angles | 90.00, 98.56, 90.00 |
Refinement procedure
Resolution | 32.510 - 1.900 |
R-factor | 0.17852 |
Rwork | 0.177 |
R-free | 0.20481 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ex1 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.302 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.960 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.053 | 0.177 |
Number of reflections | 33809 | |
<I/σ(I)> | 13.5 | 3.8 |
Completeness [%] | 91.0 | 88.9 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG MME 2000 0.2 M NaBr 0.4% Triton X-100, VAPOR DIFFUSION, HANGING DROP, temperature 293K |