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 |