2Z86
Crystal structure of chondroitin polymerase from Escherichia coli strain K4 (K4CP) complexed with UDP-GlcUA and UDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.092, 219.829, 85.856 |
| Unit cell angles | 90.00, 103.07, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.28600 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.500 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.127 | 0.480 |
| Number of reflections | 106800 | |
| <I/σ(I)> | 11.9 | 1.5 |
| Completeness [%] | 91.3 | 71.3 |
| Redundancy | 3.4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch | 8 | 277.4 | 5mM MnCl2, 0.5mM UDP, 9.5mM UDP-GlcUA, 20mM DTT, 400mM NDSB 201, 15 % PEG 3350, 200mM NaCl, pH 8.0, Batch, temperature 277.4K |
