5U7N
CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2014-05-30 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 94.352, 100.701, 101.103 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.180 - 2.300 |
R-factor | 0.1783 |
Rwork | 0.176 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cua |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.180 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.148 | 0.931 |
Number of reflections | 42870 | |
<I/σ(I)> | 12.2 | 2.2 |
Completeness [%] | 98.8 | 97.5 |
Redundancy | 8 | 8.2 |
CC(1/2) | 0.996 | 0.783 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 60 % (4S)-2-METHYL-2,4-PENTANEDIOL |