3JZT
Structure of a cubic crystal form of X (ADRP) domain from FCoV with ADP-ribose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, Hamburg |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-04 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.812 |
Spacegroup name | P 21 3 |
Unit cell lengths | 220.236, 220.236, 220.236 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.940 - 3.910 |
R-factor | 0.199 |
Rwork | 0.199 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.029 |
RMSD bond angle | 2.601 |
Data reduction software | COMBAT |
Data scaling software | SCALA |
Phasing software | Auto-Rickshaw |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 4.130 |
High resolution limit [Å] | 3.900 | 3.900 |
Rmerge | 0.463 | 0.670 |
Number of reflections | 32246 | |
<I/σ(I)> | 4.45 | 2.5 |
Completeness [%] | 98.9 | 98.5 |
Redundancy | 7.5 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 298 | di-ammonium citrate, pH 6.0, VAPOR DIFFUSION, temperature 298K |