3EMP
Crystal Structure of the S-acetanilide modified form of C165S AhpC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-02-17 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 137.315, 137.315, 145.805 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.060 - 4.000 |
R-factor | 0.302 |
Rwork | 0.301 |
R-free | 0.30900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yf1 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 4.140 |
High resolution limit [Å] | 4.000 | 4.000 |
Rmerge | 0.508 | |
Number of reflections | 13761 | |
Completeness [%] | 98.4 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 277 | 1.26 M (NH4)2SO4, 0.1 M 2-(N-morpholino)ethanesulfonic acid (MES), pH 6.0, vapor diffusion, hanging drop, temperature 277K |