7ERU
Crystal structure of L-histidine decarboxylase (C57S mutant) from Photobacterium phosphoreum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-03 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.100 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 111.434, 111.434, 126.642 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.130 - 2.850 |
R-factor | 0.1893 |
Rwork | 0.186 |
R-free | 0.24810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f9t |
RMSD bond length | 0.008 |
RMSD bond angle | 1.577 |
Data reduction software | HKL-2000 (2.3.10) |
Data scaling software | HKL-2000 (2.3.10) |
Phasing software | MOLREP (11.0.05) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.930 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.103 | |
Number of reflections | 11390 | 11390 |
<I/σ(I)> | 27.7 | |
Completeness [%] | 99.9 | |
Redundancy | 18.7 | |
CC(1/2) | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | PEG1000, sodium acetate |