1MJ5
LINB (haloalkane dehalogenase) from sphingomonas paucimobilis UT26 at atomic resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.390, 68.380, 80.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 0.950 |
| R-factor | 0.1116 |
| Rwork | 0.112 |
| R-free | 0.14110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cv2 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.994 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 0.970 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Rmerge | 0.066 | 0.367 |
| Total number of observations | 305643 * | |
| Number of reflections | 134922 * | |
| <I/σ(I)> | 12.5 | 2.1 |
| Completeness [%] | 83.4 | 79.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 200 mM MgCl2, 100 mM Tris HCl pH 8.5, 20% (w/v) PEG 4,000, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 200 (mM) | ||
| 2 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5 |
| 3 | 1 | reservoir | PEG4000 | 20 (%(w/v)) | |
| 4 | 1 | drop | protein | 12 (mg/ml) |
