4CJ8
monoclinic crystal form of Bogt6a E192Q in complex with UDP-GalNAc, UDP and GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 289.15 |
| Detector technology | CCD |
| Collection date | 2012-10-30 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 176.690, 79.740, 179.080 |
| Unit cell angles | 90.00, 95.23, 90.00 |
Refinement procedure
| Resolution | 87.977 - 3.500 |
| R-factor | 0.2266 |
| Rwork | 0.225 |
| R-free | 0.24940 |
| Structure solution method | SAD |
| Starting model (for MR) | 4cjb |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.529 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.980 | 3.590 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.130 | 0.700 |
| Number of reflections | 61949 | |
| <I/σ(I)> | 7.4 | 2.1 |
| Completeness [%] | 98.0 | 99 |
| Redundancy | 2.7 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 0.2M LI2SO4 0.1M BIS TRIS, PH 5.5 20% PEG 3350 |
