6IFP
X-ray Crystal Structure of Pseudoazurin Met16Ile Variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-18 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.956, 60.183, 47.988 |
| Unit cell angles | 90.00, 96.16, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.000 |
| Rwork | 0.110 |
| R-free | 0.14360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bqk |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.020 |
| High resolution limit [Å] | 1.000 | 2.710 | 1.000 |
| Rmerge | 0.092 | 0.051 | 0.801 |
| Rmeas | 0.099 | 0.055 | 0.875 |
| Rpim | 0.037 | 0.021 | 0.345 |
| Total number of observations | 737381 | ||
| Number of reflections | 103433 | 5269 | 5116 |
| <I/σ(I)> | 8 | ||
| Completeness [%] | 100.0 | 99.3 | 99.8 |
| Redundancy | 7.1 | 7.2 | 6 |
| CC(1/2) | 0.996 | 0.783 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M Tris-HCl, 35 % PEG4000 |
