4RPC
Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.661, 45.473, 82.787 |
| Unit cell angles | 90.00, 90.56, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.18011 |
| Rwork | 0.176 |
| R-free | 0.24684 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.760 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.120 | 0.600 |
| Number of reflections | 27123 | |
| <I/σ(I)> | 24.9 | 2.7 |
| Completeness [%] | 99.5 | 93.4 |
| Redundancy | 7.3 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M Ammonium Sulfate, 0.1 M Bis-Tris, 25 % PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
