3CHV
CRYSTAL STRUCTURE OF a prokaryotic domain of unknown function (DUF849) member (SPOA0042) FROM SILICIBACTER POMEROYI DSS-3 AT 1.45 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 | 2008-02-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837, 0.97858, 0.97920 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 68.859, 69.601, 52.331 |
| Unit cell angles | 90.00, 94.19, 90.00 |
Refinement procedure
| Resolution | 29.696 - 1.450 |
| R-factor | 0.134 |
| Rwork | 0.133 |
| R-free | 0.15800 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.762 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.696 | 29.696 | 1.490 |
| High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
| Rmerge | 0.072 | 0.047 | 0.230 |
| Total number of observations | 1551 | 10040 | |
| Number of reflections | 43611 | ||
| <I/σ(I)> | 7.6 | 12.9 | 3.2 |
| Completeness [%] | 99.9 | 98.1 | 100 |
| Redundancy | 3.1 | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | NANODROP, 20.0% PEG 3000, 0.2M Zinc acetate, 0.1M Sodium acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
