7CX1
Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor methyl-tyrosine
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 | 131.490, 131.490, 385.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.850 - 2.540 |
R-factor | 0.2121 |
Rwork | 0.210 |
R-free | 0.25300 |
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 | 2.850 |
High resolution limit [Å] | 2.540 | 5.900 | 2.750 |
Rmerge | 0.151 | 0.050 | 1.094 |
Rmeas | 0.153 | 0.051 | 1.114 |
Rpim | 0.029 | 0.010 | 0.209 |
Number of reflections | 65687 | 5840 | 5267 |
<I/σ(I)> | 3.9 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 29 | 25 | 27.9 |
CC(1/2) | 0.999 | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 15% PEG 1000, 0.2 M Mgcl2 and 0.1 M sodium citrate tribasic dehydrate (pH 6.5) |