3FQ2
Azurin C112D/M121F
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 | 48.360, 54.760, 95.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.120 - 1.910 |
R-factor | 0.203 |
Rwork | 0.200 |
R-free | 0.24519 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ag0 |
RMSD bond length | 0.027 |
RMSD bond angle | 2.200 |
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] | 20.750 | 1.770 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.140 | |
Number of reflections | 11370 | |
Completeness [%] | 77.1 | 19.29 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 25% PEG 4000, 0.1 M 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 |