2Z87
Crystal structure of chondroitin polymerase from Escherichia coli strain K4 (K4CP) complexed with UDP-GalNAc and UDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.371, 109.285, 85.575 |
| Unit cell angles | 90.00, 103.47, 90.00 |
Refinement procedure
| Resolution | 19.960 - 3.000 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.28300 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.102 | 0.393 |
| Number of reflections | 29657 | |
| <I/σ(I)> | 11.1 | 1.8 |
| Completeness [%] | 86.3 | 80.9 |
| Redundancy | 3.5 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch | 8 | 277.4 | 5mM MnCl2, 10mM UDP, 20mM DTT, 84mM IPTG, 15% PEG 3350, 200mM NaCl, 40mM UDP-GalNAc , pH 8.0, Batch, temperature 277.4K |
