4MGQ
PbXyn10C CBM APO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Detector technology | CCD |
Collection date | 2013-04-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 68.683, 68.683, 111.471 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.830 - 1.680 |
R-factor | 0.1832 |
Rwork | 0.182 |
R-free | 0.20880 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.097 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.830 | 1.710 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.744 | |
Number of reflections | 35308 | |
<I/σ(I)> | 2.04 | |
Completeness [%] | 95.7 | 99.8 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 2.0 M Ammonium Sulfate, 0.1 M Sodium Chloride, 0.1 M Sodium Cacodylate, 5 mg/mL protein, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |