3GA7
1.55 Angstrom Crystal Structure of an Acetyl Esterase from Salmonella typhimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97926 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.747, 133.207, 64.139 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.550 |
| R-factor | 0.1401 |
| Rwork | 0.138 |
| R-free | 0.17739 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.320 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.5.0051) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.077 | 0.590 |
| Number of reflections | 51647 | |
| <I/σ(I)> | 58 | 5 |
| Completeness [%] | 99.6 | 98.7 |
| Redundancy | 14.8 | 14.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1:1 v/v protein solution (10mg/mL protein, 0.3M NaCl, 10mM Na Hepes pH 7.5) with the screen solution (0.2M Sodium Sulphate, PEG3350 20%), VAPOR DIFFUSION, HANGING DROP, temperature 295K |
