1XX1
Structural basis for ion-coordination and the catalytic mechanism of sphingomyelinases D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.427 |
| Spacegroup name | P 65 |
| Unit cell lengths | 139.818, 139.818, 113.461 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.18761 |
| Rwork | 0.186 |
| R-free | 0.22465 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.551 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.790 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.057 | 0.305 |
| Number of reflections | 125875 | |
| <I/σ(I)> | 22 | 3.4 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 20.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | sulfate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | sulfate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
