5XMO
X-ray crystal structure of Pseudoazurin Met16Phe/Thr36Lys 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 | 2017-05-06 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.170, 41.160, 34.830 |
Unit cell angles | 90.00, 98.71, 90.00 |
Refinement procedure
Resolution | 46.050 - 1.190 |
R-factor | 0.12965 |
Rwork | 0.128 |
R-free | 0.16116 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bqk |
RMSD bond length | 0.033 |
RMSD bond angle | 2.771 |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.4.06) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.048 | 1.223 |
High resolution limit [Å] | 1.192 | 1.192 |
Rmerge | 0.317 | |
Rmeas | 0.079 | |
Rpim | 0.033 | |
Number of reflections | 38384 | |
<I/σ(I)> | 12.5 | 4.4 |
Completeness [%] | 92.3 | 87.3 |
Redundancy | 5.4 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Buffer for crystallization: 0.1 M sodium acetate pH 4.5 Precipitant: 30 % PEG1500 Soaking (Cryoprotectant): 0.1 M Tris-HCl pH 7.5, 40 % PEG1500 |