4KH2
Crystal structure of human alpha-L-iduronidase complex with 2-deoxy-2-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 | 258.839, 258.839, 71.362 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.720 - 2.360 |
R-factor | 0.22221 |
Rwork | 0.220 |
R-free | 0.26068 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4JXO |
RMSD bond length | 0.005 |
RMSD bond angle | 1.068 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.720 | 2.420 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.204 | |
Number of reflections | 71893 | |
<I/σ(I)> | 8.94 | 1.64 |
Completeness [%] | 98.1 | 89.25 |
Redundancy | 5.9 | 5.2 |
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 |