3KE0
Crystal structure of N370S Glucocerebrosidase at acidic pH.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9765 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 109.465, 285.064, 92.225 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.700 |
R-factor | 0.17484 |
Rwork | 0.172 |
R-free | 0.22921 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ogs |
RMSD bond length | 0.019 |
RMSD bond angle | 1.780 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.000 | 2.870 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 37753 | |
<I/σ(I)> | 7.3 | 2.5 |
Completeness [%] | 99.5 | 94.1 |
Redundancy | 6.1 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 294 | 1M Ammonium Sulfate/0.2M Potassium Chloride/0.05M Guanidine-Hydrochloride/0.1M Sodium Citrate, pH5.4, VAPOR DIFFUSION, SITTING DROP, temperature 294K |