8K41
mercuric reductase,GbsMerA, - FAD bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-04-12 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 102.330, 102.330, 108.700 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.570 - 2.390 |
Rwork | 0.209 |
R-free | 0.27110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.573 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.570 | 2.480 |
High resolution limit [Å] | 2.390 | 2.390 |
Number of reflections | 26169 | 2695 |
<I/σ(I)> | 27.8 | |
Completeness [%] | 99.0 | |
Redundancy | 20.1 | |
CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 10% w/v PEG 4000, 20% v/v glycerol, 0.12M of ethylene glycol, 0.1M bicine/Trizma pH8.5 |