3FPY
Azurin C112D/M121L
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-09 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 48.620, 48.620, 276.311 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.220 - 2.100 |
| R-factor | 0.17761 |
| Rwork | 0.175 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ag0 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.131 |
| 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] | 24.310 | 2.154 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.072 | |
| Number of reflections | 12564 | |
| Completeness [%] | 88.5 | 73.6 |
| Redundancy | 8.3 |
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 |
