5FI9
Closed form of murine Acid Sphingomyelinase in complex with bisphosphonate inhibitor AbPA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-20 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.28154 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.394, 72.018, 74.420 |
| Unit cell angles | 80.47, 71.52, 83.60 |
Refinement procedure
| Resolution | 46.654 - 2.543 |
| R-factor | 0.2032 |
| Rwork | 0.201 |
| R-free | 0.25230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hnq |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.727 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 46.654 |
| High resolution limit [Å] | 2.543 |
| Number of reflections | 35624 |
| <I/σ(I)> | 9.68 |
| Completeness [%] | 97.2 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | lithium acetate, PEG 3350 |
