6DYT
Citrobacter freundii tyrosine phenol-lyase F448A mutant complexed with L-alanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-06 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 59.640, 133.270, 145.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.893 - 2.050 |
R-factor | 0.1877 |
Rwork | 0.186 |
R-free | 0.23210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vlf |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.893 | 37.893 | 2.123 |
High resolution limit [Å] | 2.050 | 9.620 | 2.050 |
Rmerge | 0.096 | 0.037 | 3.551 |
Rmeas | 0.107 | 0.042 | 3.861 |
Number of reflections | 73005 | 786 | 4621 |
<I/σ(I)> | 7.52 | 22.06 | 0.42 |
Completeness [%] | 98.8 | 93.1 | 99.6 |
Redundancy | 5.016 | 4.593 | 5.23 |
CC(1/2) | 0.997 | 0.998 | 0.186 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.05 M triethanolamine-HCl, pH 8, 1 mM EDTA, 5 mM 2-mercaptoethanol, 0.5 mM pyridoxal-5'-phosphate |