3D19
Crystal structure of a conserved metalloprotein from Bacillus cereus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.825, 136.378, 87.060 |
| Unit cell angles | 90.00, 102.84, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.21 |
| Rwork | 0.206 |
| R-free | 0.26800 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.569 |
| Data reduction software | DENZO |
| Data scaling software | SCALA (3.2.19) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.036 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.104 | 0.444 |
| Number of reflections | 75161 | |
| <I/σ(I)> | 11.5 | 2.7 |
| Completeness [%] | 99.6 | 98.2 |
| Redundancy | 4.1 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 294 | 100mM Tris-HCl pH 8.0, 30% PEG 3350, 200mM Magnesium chloride, VAPOR DIFFUSION, temperature 294K |
