3W82
Human alpha-L-iduronidase in complex with iduronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9800 |
| Spacegroup name | H 3 |
| Unit cell lengths | 259.980, 259.980, 65.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.550 - 2.760 |
| R-factor | 0.19792 |
| Rwork | 0.195 |
| R-free | 0.25431 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w81 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.127 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.870 |
| High resolution limit [Å] | 2.760 | 2.760 |
| Rmerge | 0.119 | 0.424 |
| Number of reflections | 40478 | |
| <I/σ(I)> | 7.4 | 2.4 |
| Completeness [%] | 95.8 | 90.1 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 288 | 18%(w/v) PEG 3350, 0.18M K/Na tartrate, 3% (w/v)PEG MME 5000, 0.02M ammonium sulfate, 0.01M MES-Na, 7mM IdoA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
