3KH1
Crystal structure of Predicted metal-dependent phosphohydrolase (ZP_00055740.2) from Magnetospirillum magnetotacticum MS-1 at 1.37 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-04 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.852, 83.906, 71.278 |
| Unit cell angles | 90.00, 116.89, 90.00 |
Refinement procedure
| Resolution | 41.960 - 1.370 |
| R-factor | 0.133 |
| Rwork | 0.132 |
| R-free | 0.16400 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.147 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.959 | 1.420 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.495 | |
| Number of reflections | 85080 | |
| <I/σ(I)> | 2.2 | |
| Completeness [%] | 99.2 | 97.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.67 | 277 | 20.0000% polyethylene glycol 3000, 0.2500M calcium acetate, 0.1M TRIS pH 7.67, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
