3HDI
Crystal structure of Bacillus halodurans metallo peptidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-08 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.141, 193.981, 125.567 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.700 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hr6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.267 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.082 | 0.660 |
| Number of reflections | 28541 | |
| <I/σ(I)> | 20 | 1.9 |
| Redundancy | 4.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 1.5 microliter drops, 15 mg/ml protein in 25 mM HEPES, 50 mM NaCl, mixed with 100 mM MES pH 6.5, 5 mM CoCl2, 1.8 M Ammonium sulfate, VAPOR DIFFUSION, temperature 293K |
