3UMB
Crystal Structure of the L-2-Haloacid Dehalogenase RSc1362
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-05 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 66.380, 129.570, 54.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.670 - 2.200 |
R-factor | 0.2328 |
Rwork | 0.230 |
R-free | 0.28280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qh9 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.609 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.15) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.785 | 24.670 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.024 | 0.214 | |
Total number of observations | 2705 | 12299 | |
Number of reflections | 12258 | ||
<I/σ(I)> | 26.2 | 19.8 | 3.5 |
Completeness [%] | 99.9 | 97.7 | 100 |
Redundancy | 7 | 6.3 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 15% isopropanol, 0.1 M potassium chloride, 25 mM magnesium chloride, 2% 1,4-dioxane, 50 mM sodium cacodylate, pH 6.0, cryoprotectant: Paratone N, VAPOR DIFFUSION, SITTING DROP, temperature 298K |