9L6D
the crystal structure of Azurin-LBT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-09-04 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 65.855, 87.096, 78.823 |
| Unit cell angles | 90.00, 112.59, 90.00 |
Refinement procedure
| Resolution | 72.780 - 2.380 |
| R-factor | 0.2042 |
| Rwork | 0.202 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.416 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 72.780 | 50.000 | 2.420 |
| High resolution limit [Å] | 2.380 | 6.460 | 2.380 |
| Rmerge | 0.157 | 0.065 | 0.488 |
| Number of reflections | 16392 | 852 | 797 |
| <I/σ(I)> | 9 | ||
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 6.9 | 6 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M NaOAc pH5.6, 10% 2-propanol with 16% PEG6000 |
