4KGJ
Crystal structure of human alpha-L-iduronidase complex with 5-fluoro-alpha-L-idopyranosyluronic acid fluoride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2013-03-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | H 3 |
| Unit cell lengths | 259.343, 259.343, 71.379 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.050 - 2.990 |
| R-factor | 0.17997 |
| Rwork | 0.178 |
| R-free | 0.22689 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4JXO |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.109 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.050 | 3.100 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Number of reflections | 36079 | |
| <I/σ(I)> | 11.75 | 3.35 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 6 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.01 M HEPES, pH 7.5, 0.26 M sodium potassium tartrate, 20% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
