6MGT
Crystal structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Mutant H110A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 90.934, 90.934, 170.107 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.058 - 2.770 |
R-factor | 0.202 |
Rwork | 0.196 |
R-free | 0.25810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hbv |
RMSD bond length | 0.009 |
RMSD bond angle | 1.119 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.10.1) |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.820 |
High resolution limit [Å] | 2.770 | 7.510 | 2.770 |
Rmerge | 0.114 | 0.059 | 0.908 |
Rmeas | 0.128 | 0.067 | 1.016 |
Rpim | 0.055 | 0.029 | 0.444 |
Number of reflections | 17420 | 920 | 867 |
<I/σ(I)> | 5 | ||
Completeness [%] | 92.0 | 84.6 | 94.5 |
Redundancy | 5 | 4.6 | 5.1 |
CC(1/2) | 0.995 | 0.527 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 8% (v/v) TacsimateTM pH 6.0 and 22% (w/v) polyethylene glycol 3,350 |