3S4T
Crystal structure of putative amidohydrolase-2 (EFI-target 500288)from Polaromonas sp. JS666
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.024, 151.241, 143.410 |
| Unit cell angles | 90.00, 91.96, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| R-factor | 0.1766 |
| Rwork | 0.175 |
| R-free | 0.20720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dvt |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.380 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.150 | 1.900 |
| Rmerge | 0.093 | 0.037 | 0.590 |
| Number of reflections | 268076 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 99.1 | 99.9 | 97.1 |
| Redundancy | 7.1 | 7.4 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1M Tris hydrochloride, 2M Ammonium Sulfate, pH 8.5, Vapor diffusion, Sitting drop, temperature 298K |
