3FQ1
Azurin C112D/M121I
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-07-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 48.500, 54.800, 95.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 1.900 |
| R-factor | 0.201 |
| Rwork | 0.198 |
| R-free | 0.25585 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ag0 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.058 |
| 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] | 19.992 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.046 | 0.020 |
| Number of reflections | 13824 | |
| Completeness [%] | 95.8 | 75.42 |
| Redundancy | 4.1 |
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 |
