3BJX
Structure of a Group I haloacid dehalogenase from Pseudomonas putida strain PP3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-02-20 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.323, 111.864, 75.181 |
| Unit cell angles | 90.00, 93.71, 90.00 |
Refinement procedure
| Resolution | 38.150 - 2.300 |
| R-factor | 0.18463 |
| Rwork | 0.181 |
| R-free | 0.25018 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.447 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE (2.12) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 75.024 | 44.810 | 2.420 |
| High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
| Rmerge | 0.118 | 0.030 | 0.454 |
| Total number of observations | 4071 | 11547 | |
| Number of reflections | 48240 | ||
| <I/σ(I)> | 6.1 | 19.3 | 1.6 |
| Completeness [%] | 96.3 | 93.8 | 81 |
| Redundancy | 2.5 | 2.7 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 6 | 298 | 25% PEG 3350 w/v, 0.4M Li2SO4, 0.1M Bis-Tris pH 6.0, hanging drop, temperature 298K |
| 1 | hanging drop | 6 | 298 | 25% PEG 3350 w/v, 0.4M Li2SO4, 0.1M Bis-Tris pH 6.0, hanging drop, temperature 298K |
