6DTE
GlcNAc-inspired cyclophellitol bound to NagZ
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 | 2017-12-04 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.910, 88.140, 67.310 |
Unit cell angles | 90.00, 92.03, 90.00 |
Refinement procedure
Resolution | 40.226 - 1.929 |
R-factor | 0.1557 |
Rwork | 0.153 |
R-free | 0.20150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g6c |
RMSD bond length | 0.003 |
RMSD bond angle | 0.653 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_3139: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.270 | 1.970 |
High resolution limit [Å] | 1.929 | 1.929 |
Rmerge | 0.082 | 0.309 |
Number of reflections | 42981 | 2882 |
<I/σ(I)> | 9.3 | 3.3 |
Completeness [%] | 99.9 | 98.9 |
Redundancy | 3.6 | 3.3 |
CC(1/2) | 0.993 | 0.833 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30-32% PEG8000, 0.1M MES pH 6.6-6.8 |