3EO6
Crystal structure of protein of unknown function (DUF1255) (AFE_2634) from ACIDITHIOBACILLUS FERROOXIDANS NCIB8455 at 0.97 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-01 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97837 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.785, 82.028, 40.847 |
| Unit cell angles | 90.00, 109.95, 90.00 |
Refinement procedure
| Resolution | 28.194 - 0.970 |
| R-factor | 0.124 |
| Rwork | 0.123 |
| R-free | 0.14300 |
| Structure solution method | MAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.920 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.194 | 28.940 | 1.000 |
| High resolution limit [Å] | 0.970 | 4.340 | 0.970 |
| Rmerge | 0.064 | 0.050 | 0.703 |
| Total number of observations | 7749 | 28853 | |
| Number of reflections | 111566 | ||
| <I/σ(I)> | 5.911 | 12.7 | 1.1 |
| Completeness [%] | 99.4 | 97.1 | 98 |
| Redundancy | 4.1 | 6.2 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2000M MgCl2, 30.0000% PEG-4000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
