3CRU
Structural characterization of an engineered allosteric protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 150 |
Detector technology | IMAGE PLATE |
Collection date | 2007-10-04 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 92.680, 92.680, 57.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.507 - 2.300 |
Rwork | 0.221 |
R-free | 0.29100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDBid: 1GNE with the engineered peptide deleted. |
RMSD bond length | 0.007 |
RMSD bond angle | 1.330 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.507 | 3.000 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.610 | 0.158 |
Number of reflections | 17967 | |
<I/σ(I)> | 14.87 | 6.2 |
Completeness [%] | 84.0 | 76.5 |
Redundancy | 1.99 | 1.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 298 | 20% PEG8000, 50 mM Tris-HCL, 3 mM B-ME., pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |