4I49
Structure of ngNAGS bound with bisubstrate analog CoA-NAG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Cu FINE FOCUS |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2011-07-20 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | P 3 1 2 |
Unit cell lengths | 98.521, 98.521, 90.009 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.042 - 2.750 |
R-factor | 0.1977 |
Rwork | 0.189 |
R-free | 0.27130 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3b8g |
RMSD bond length | 0.008 |
RMSD bond angle | 1.188 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.087 | 0.522 |
Number of reflections | 13151 | |
<I/σ(I)> | 12.9 | 1.55 |
Completeness [%] | 99.8 | 64.7 |
Redundancy | 9.8 | 9.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 100 mM Tri-Na citrate, 0.2M MgCl2, 8% PEG3350 , pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K |