3RQZ
Crystal structure of metallophosphoesterase from Sphaerobacter thermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 32 |
| Unit cell lengths | 72.838, 72.838, 123.006 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.1249 |
| Rwork | 0.123 |
| R-free | 0.15040 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.398 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.077 | 0.647 |
| Number of reflections | 53210 | |
| <I/σ(I)> | 31.5 | 2.42 |
| Completeness [%] | 99.9 | 98.6 |
| Redundancy | 5.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 297 | 0.2M Calcium acetate, 0.1M MES pH 6.0, 10% 2-propanol, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
