4M6A
N-Terminal beta-Strand Swapping in a Consensus Derived Alternative Scaffold Driven by Stabilizing Hydrophobic Interactions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-15 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 87.370, 41.880, 128.180 |
Unit cell angles | 90.00, 92.82, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.710 |
R-factor | 0.2353 |
Rwork | 0.232 |
R-free | 0.29030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tes |
RMSD bond length | 0.002 |
RMSD bond angle | 0.549 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_896)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.090 | |
Number of reflections | 23524 | |
<I/σ(I)> | 10.4 | |
Completeness [%] | 91.1 | 60.2 |
Redundancy | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 295 | 0.1 M sodium acetate buffer, pH 4.6, 25% PEG 4K, 0.2 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |