1K6E
COMPLEX OF HYDROLYTIC HALOALKANE DEHALOGENASE LINB FROM SPHINGOMONAS PAUCIMOBILIS UT26 WITH 1,2-PROPANEDIOL (PRODUCT OF DEHALOGENATION OF 1,2-DIBROMOPROPANE) AT 1.85A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-01-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.410, 68.330, 80.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.690 - 1.850 |
| R-factor | 0.142 |
| Rwork | 0.142 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k5p |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.700 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.690 | 1.980 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.117 | |
| Number of reflections | 21714 | |
| <I/σ(I)> | 11.859 | 4 |
| Completeness [%] | 95.6 | 65 |
| Redundancy | 4.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 289 | PEG 4000,magnesium chloride, TRIS, pH 8.20, VAPOR DIFFUSION, SITTING DROP, temperature 289.0K |
