6AKN
X-ray Crystal Structure of Pseudoazurin Met16Leu Variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-22 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.050, 60.220, 48.030 |
| Unit cell angles | 90.00, 95.80, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.190 |
| Rwork | 0.098 |
| R-free | 0.13000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bqk |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.786 | 30.100 | 1.250 |
| High resolution limit [Å] | 1.186 | 3.750 | 1.190 |
| Rmerge | 0.040 | 0.112 | |
| Rmeas | 0.062 | 0.044 | 0.125 |
| Rpim | 0.027 | 0.018 | 0.056 |
| Total number of observations | 302881 | 11078 | 42804 |
| Number of reflections | 61610 | 2035 | 8895 |
| <I/σ(I)> | 16.5 | 30 | 9.4 |
| Completeness [%] | 98.7 | 99.9 | 98.1 |
| Redundancy | 4.9 | 5.4 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M Tris-HCl (pH 7.5), 32 % PEG4000 |
