3AIO
R267K mutant of a HSL-like carboxylesterase from Sulfolobus tokodaii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-08 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.340, 114.610, 102.199 |
| Unit cell angles | 90.00, 109.55, 90.00 |
Refinement procedure
| Resolution | 26.620 - 1.700 |
| R-factor | 0.17867 |
| Rwork | 0.177 |
| R-free | 0.20673 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3aik |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.061 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.074 | 0.530 |
| Number of reflections | 182172 | |
| <I/σ(I)> | 18.8 | 2.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris-HCl pH 8.5, 0.2M Ammonium phosphate monobasic, 50% MPD , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
