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 |
