6LDS
Structure of a K245A mutant of L-tyrosine decarboxylase from Methanocaldococcus jannaschii complexed with L-Tyr: External aldimine form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9790 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 98.420, 98.420, 122.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.210 - 1.800 |
R-factor | 0.1687 |
Rwork | 0.167 |
R-free | 0.19550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ldr |
RMSD bond length | 0.068 |
RMSD bond angle | 0.972 |
Data reduction software | iMOSFLM (v7.1) |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.860 | 1.810 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.078 | 1.179 |
Rmeas | 0.083 | 1.272 |
Rpim | 0.028 | 0.465 |
Number of reflections | 58830 | 3301 |
<I/σ(I)> | 16.1 | 1.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.1 | 6.9 |
CC(1/2) | 0.999 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 0.1M sodium citrate pH 5.4, 0.2M sodium potassium tartarate, 2.0M ammonium sulphate |