5YT7
crystal structure of circularly permutated Azurin 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.888, 87.968, 66.096 |
| Unit cell angles | 90.00, 110.22, 90.00 |
Refinement procedure
| Resolution | 62.020 - 1.660 |
| R-factor | 0.16447 |
| Rwork | 0.162 |
| R-free | 0.21659 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.356 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.020 | 1.690 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Number of reflections | 62796 | |
| <I/σ(I)> | 48.4 | |
| Completeness [%] | 99.5 | |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.08 M NaOAc, 0.24 M LiNO3, 0.24 M CaCl2, 20% polyethylene glycol 8000 |
