5ZTD
X-ray Crystal Structure of Pseudoazurin Met16Val 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 | 2018-02-13 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.070, 60.560, 54.530 |
Unit cell angles | 90.00, 106.20, 90.00 |
Refinement procedure
Resolution | 24.210 - 1.050 |
Rwork | 0.114 |
R-free | 0.15060 |
Structure solution method | MOLECULAR REPLACEMEN |
Starting model (for MR) | 1bqk |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.21) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.365 | 24.199 | 1.110 |
High resolution limit [Å] | 1.050 | 3.320 | 1.050 |
Rmerge | 0.075 | 0.336 | |
Rmeas | 0.110 | 0.089 | 0.392 |
Rpim | 0.041 | 0.035 | 0.145 |
Number of reflections | 93957 | 2980 | 12879 |
<I/σ(I)> | 11.7 | 8.9 | 2.3 |
Completeness [%] | 92.1 | 90 | 86.8 |
Redundancy | 7 | 6.3 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | Reservoir: 0.1M Tris-HCl (pH 8.5), 27% PEG1000 Drop: 42mg/mL Met16Val Pseudoazurin, 0.1M Tris-HCl (pH 8.5), 13.5% PEG1000 |