8HJZ
Crystal structure of a cupin protein (tm1459, H52A/H58Q mutant) in copper (Cu) substituted form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-01-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.100, 57.780, 74.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 99.000 - 1.220 |
Rwork | 0.150 |
R-free | 0.18780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6l2e |
RMSD bond length | 0.011 |
RMSD bond angle | 0.027 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | SHELXL (2017/01) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.290 |
High resolution limit [Å] | 1.220 | 1.220 |
Rmerge | 0.066 | 0.596 |
Number of reflections | 127123 | 19670 |
<I/σ(I)> | 10.2 | 2.1 |
Completeness [%] | 98.8 | 94.5 |
Redundancy | 3.41 | 3.13 |
CC(1/2) | 0.997 | 0.718 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% w/v Jeffamine ED-2001, 0.1M MES pH 6.0 |