4S1A
Crystal structure of a hypothetical protein Cthe_0052 from Ruminiclostridium thermocellum ATCC 27405
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 | 2014-08-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.539, 65.483, 113.021 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.161 |
| Rwork | 0.159 |
| R-free | 0.19775 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.645 |
| 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 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.085 | 0.789 |
| Number of reflections | 44613 | |
| <I/σ(I)> | 32.4 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Na Citrate, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
