Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.246, 53.022, 55.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.365 - 1.699 |
R-factor | 0.1595 |
Rwork | 0.157 |
R-free | 0.19810 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.470 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: dev_842)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.730 |
High resolution limit [Å] | 1.699 | 1.699 |
Number of reflections | 17248 | |
<I/σ(I)> | 30.2 | 3.7 |
Completeness [%] | 97.9 | 96.1 |
Redundancy | 5.1 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.025 M MGCL2, 0.1 M KCL, 50 MM NA CACODYLATE PH 6, 15% ISOPROPANOL, 1 MM RHAMNOSE, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.025 M MGCL2, 0.1 M KCL, 50 MM NA CACODYLATE PH 6, 15% ISOPROPANOL, 1 MM RHAMNOSE, VAPOR DIFFUSION, HANGING DROP, temperature 298K |