3S6T
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 V327G complexed with PUGNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-05-25 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 108.790, 108.790, 175.050 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.790 - 2.300 |
R-factor | 0.21057 |
Rwork | 0.210 |
R-free | 0.22719 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nsm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.132 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.300 |
Number of reflections | 51761 |
Completeness [%] | 100.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 100mM HEPES, pH 7.5, 200mM MgCl2, 25% PEG 400 , VAPOR DIFFUSION, HANGING DROP, temperature 277K |