4CJC
orthorhombic crystal form of Bogt6a E192Q in complex with UDP-GalNAc, UDP, GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 289.15 |
| Detector technology | CCD |
| Collection date | 2012-12-03 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.120, 120.150, 131.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.802 - 3.420 |
| R-factor | 0.2851 |
| Rwork | 0.283 |
| R-free | 0.31410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cjb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.206 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.800 | 3.510 |
| High resolution limit [Å] | 3.420 | 3.420 |
| Rmerge | 0.080 | 0.090 |
| Number of reflections | 17402 | |
| <I/σ(I)> | 13.5 | 2.8 |
| Completeness [%] | 97.6 | 99.8 |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.2 M LI2SO4, 0.1M BIS TRIS, PH 5.5, 20 % PEG 3350 |
