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 |
