3LKT
Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-23 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 190.310, 168.040, 128.160 |
Unit cell angles | 90.00, 132.30, 90.00 |
Refinement procedure
Resolution | 29.570 - 1.650 |
R-factor | 0.14959 |
Rwork | 0.148 |
R-free | 0.17344 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PHASER generated pdb |
RMSD bond length | 0.012 |
RMSD bond angle | 1.356 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.040 | 0.331 |
Number of reflections | 351447 | |
<I/σ(I)> | 18.7 | 2.9 |
Completeness [%] | 98.5 | 97.5 |
Redundancy | 2.7 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 1.5-1.8 M ammonium sulfate, 40-60 mM TRIS-HCl buffer, pH 8.5, 5 mM BME, VAPOR DIFFUSION, HANGING DROP, temperature 277K |