3AIM
R267E 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 | 76.213, 114.835, 102.219 |
| Unit cell angles | 90.00, 109.74, 90.00 |
Refinement procedure
| Resolution | 32.460 - 2.300 |
| R-factor | 0.21155 |
| Rwork | 0.210 |
| R-free | 0.24871 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3aik |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.897 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.157 | 0.392 |
| Number of reflections | 71172 | |
| <I/σ(I)> | 9.7 | 2.8 |
| Completeness [%] | 98.9 | 98.3 |
| Redundancy | 3.7 | 3.7 |
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 |
