3LXV
Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-11 |
Detector | NOIR-1 |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 128.110, 140.590, 167.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.990 - 1.900 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.480 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.010 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.082 | 0.434 |
Total number of observations | 78298 | |
Number of reflections | 118774 | |
<I/σ(I)> | 9.2 | 2.5 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7.11 | 6.61 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 1.5-1.8 M AS in 40-60 mM TRIS-HCl buffer, with varying protein:mother liquor ratios. 15-30 mg/mL protein conc, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |