4IWY
SeMet-substituted RimK structure
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Detector technology | CCD |
Collection date | 2012-07-30 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97921, 0.97934, 0.97471 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 129.030, 129.030, 171.238 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.558 - 2.900 |
R-factor | 0.2072 |
Rwork | 0.205 |
R-free | 0.25270 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.589 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
Rmerge | 0.126 | 0.053 | 0.803 |
Number of reflections | 18059 | ||
<I/σ(I)> | 8.2 | ||
Completeness [%] | 93.4 | 97.8 | 53.5 |
Redundancy | 15.6 | 15.6 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 100 mM HEPES, and 1.8 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K, pH 7.5 |