2W8H
Crystal structure of spin labeled Wza24-345.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 141.153, 141.152, 167.529 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.900 - 2.760 |
R-factor | 0.212 |
Rwork | 0.211 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j58 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.059 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.120 | 0.640 |
Number of reflections | 85823 | |
<I/σ(I)> | 11.8 | 1.8 |
Completeness [%] | 99.2 | 94.5 |
Redundancy | 4.8 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M HEPES PH 7.1, 0.2 M CACL2, 19% PEG 400 |