4XFR
Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group P6522
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-12 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 77.637, 77.637, 479.012 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.550 - 2.000 |
R-factor | 0.1912 |
Rwork | 0.188 |
R-free | 0.24330 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.408 |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 479.010 | 479.010 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.089 | 0.044 | 0.807 |
Rpim | 0.019 | 0.008 | 0.246 |
Total number of observations | 1194531 | 25952 | 35606 |
Number of reflections | 59286 | ||
<I/σ(I)> | 24.1 | 68.9 | 2.6 |
Completeness [%] | 99.2 | 99.5 | 94 |
Redundancy | 20.1 | 29.3 | 8.8 |
CC(1/2) | 0.999 | 0.999 | 0.718 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | Protein (39.6 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT,); Reservoir (MCSG2(A9); 0.1 M tri-Sodium Citrate pH 5, 20 %(w/v) PEG 6000); Cryoprotection (80% Reservoir, 20% ethylene glycol) |