3LMX
Tyrosine 447 of Protocatechuate 34,-Dioxygenase Controls Efficient Progress Through Catalysis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-24 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 127.982, 140.578, 167.824 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.850 - 2.200 |
| R-factor | 0.171 |
| Rwork | 0.169 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.491 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.076 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.086 | 0.557 |
| Number of reflections | 76802 | |
| <I/σ(I)> | 22.21 | 3.49 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.8 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 277 | 1.5-1.8 M ammonium sulfate; 40-60 mM TRIS-Hcl buffer; 5 mM BME, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
