4BWW
Crystal structure of spin labelled azurin T21R1.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.950, 53.660, 73.210 |
| Unit cell angles | 74.40, 89.33, 83.41 |
Refinement procedure
| Resolution | 48.123 - 1.480 |
| R-factor | 0.1802 |
| Rwork | 0.179 |
| R-free | 0.21040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e67 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.258 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.300 | |
| High resolution limit [Å] | 1.500 | 1.480 |
| Rmerge | 0.070 | 0.470 |
| Number of reflections | 82307 | |
| <I/σ(I)> | 5.5 | 1.1 |
| Completeness [%] | 91.8 | 90.9 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2.14 M AMMONIUM SULFATE, 0.28 M AMMONIUM NITRATE, 0.1 M SODIUM CACODYLATE PH 6.0 |
