6DVX
Citrobacter freundii tyrosine phenol-lyase F448A mutant complexed with L-phenylalanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-02-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 59.780, 132.670, 144.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.752 - 2.270 |
R-factor | 0.187 |
Rwork | 0.186 |
R-free | 0.21880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vlh |
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] | 37.752 | 37.752 | 2.330 |
High resolution limit [Å] | 2.270 | 10.150 | 2.270 |
Rmerge | 0.157 | 0.036 | 3.974 |
Rmeas | 0.160 | 0.037 | 4.112 |
Number of reflections | 54151 | 706 | 3951 |
<I/σ(I)> | 17.68 | 70.6 | 0.88 |
Completeness [%] | 99.8 | 98.1 | 99.9 |
Redundancy | 27.743 | 23.615 | 15.015 |
CC(1/2) | 1.000 | 1.000 | 0.367 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.05 M triethanolamine-HCl, 0.5 mM pyridoxal-5'-phosphate, 1 mM EDTA, 5 mM 2-mercaptoethanol, 36-40% PEG 5000 MME |