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 |