2CCW
Crystal structure of Azurin II at atomic resolution (1.13 angstrom)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 51.754, 51.754, 99.789 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.800 - 1.130 |
R-factor | 0.128 |
R-free | 0.14600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dz0 |
RMSD bond length | 0.016 |
RMSD bond angle | 0.000 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.800 | 1.170 |
High resolution limit [Å] | 1.130 | 1.130 |
Rmerge | 0.070 | 0.620 |
Number of reflections | 48485 | |
<I/σ(I)> | 19.8 | 2.2 |
Completeness [%] | 94.4 | 83.6 |
Redundancy | 8 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.50 |