7XI6
Crystal structure of C56 from pSSVi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-04-29 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 62.401, 62.401, 166.776 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
R-factor | 0.2326 |
Rwork | 0.232 |
R-free | 0.25220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o27 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.136 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.039 | 0.442 |
Number of reflections | 7725 | 376 |
<I/σ(I)> | 97.7 | 9.95 |
Completeness [%] | 99.9 | |
Redundancy | 26.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.5 M sodium chloride and 10% (v/v) ethanol |