1SU1
Structural and biochemical characterization of Yfce, a phosphoesterase from E. coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 170 |
| Detector technology | CCD |
| Collection date | 2003-10-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979438 |
| Spacegroup name | P 31 |
| Unit cell lengths | 71.020, 71.020, 173.680 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.250 |
| R-factor | 0.213 |
| Rwork | 0.213 |
| R-free | 0.25200 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.095 | 0.294 |
| Number of reflections | 48352 | |
| <I/σ(I)> | 5.9 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | drop: 50 mM sodium Cacodylate pH 6.5, 5 mM Hepes pH 7.5, 0.1 M Ammonium sulfate, 10% PEG 4000, 0.25 M NaCl, 1 mM BME, 5 mg/ml protein; well: 0.1 M sodium Cacodylate pH 6.5, 0.2 M Ammonium sulfate, 20% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
