4CJB
orthorhombic crystal form of Bogt6a E192Q in complex with 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, 115.600, 126.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.630 - 2.780 |
R-factor | 0.234 |
Rwork | 0.231 |
R-free | 0.27400 |
Structure solution method | SAD |
Starting model (for MR) | 4ayl |
RMSD bond length | 0.004 |
RMSD bond angle | 0.979 |
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] | 67.630 | 2.850 |
High resolution limit [Å] | 2.780 | 2.800 |
Rmerge | 0.100 | 0.110 |
Number of reflections | 29475 | |
<I/σ(I)> | 15 | 2.5 |
Completeness [%] | 98.0 | 99.5 |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 0.1M NA CITRATE, PH 5.0 20% PEG 8000 |