2F9R
Crystal structure of the inactive state of the Smase I, a sphingomyelinase D from Loxosceles laeta venom
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 | 2005-06-19 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.478 |
| Spacegroup name | P 65 |
| Unit cell lengths | 140.587, 140.587, 113.608 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.850 |
| R-factor | 0.18959 |
| Rwork | 0.187 |
| R-free | 0.23398 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB code: 1XX1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.340 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.500 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 86016 | |
| Completeness [%] | 83.5 | 83.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 11 | 298 | 2.4 M trisodium citrate, pH 11, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
