7CWZ
Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis K392A mutant in complex with the cofactor PLP and L-dopa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-23 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.99984 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 133.314, 133.314, 390.631 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.850 - 2.970 |
R-factor | 0.2452 |
Rwork | 0.243 |
R-free | 0.29350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hsi |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 3.080 |
High resolution limit [Å] | 2.970 | 6.370 | 2.970 |
Rmerge | 0.173 | 0.046 | 1.148 |
Rmeas | 0.179 | 0.047 | 1.191 |
Rpim | 0.043 | 0.012 | 0.313 |
Total number of observations | 732993 | ||
Number of reflections | 43434 | 4705 | 4206 |
<I/σ(I)> | 5.7 | ||
Completeness [%] | 99.9 | 99.7 | 99.9 |
Redundancy | 16.9 | 15.8 | 13.7 |
CC(1/2) | 0.999 | 0.924 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 15% PEG 1000, 0.2 M Mgcl2 and 0.1 M sodium citrate tribasic dehydrate (pH 6.5) |