3FQY
Azurin C112D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-01-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 48.930, 55.080, 94.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.840 - 1.900 |
R-factor | 0.1891 |
Rwork | 0.186 |
R-free | 0.24369 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ag0 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.086 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.840 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.040 | 0.310 |
Number of reflections | 11261 | |
Completeness [%] | 92.9 | 74.34 |
Redundancy | 3.51 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 25% PEG 4000, 0.1M sodium acetate pH 5.6, 0.1 M tris pH 8, 0.1 M lithium nitrate, 0.01 M copper(II) sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |