3DHO
Structure of Streptogramin Acetyltransferase in Complex with an Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 125 |
Detector technology | IMAGE PLATE |
Collection date | 2006-08-28 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 183.653, 183.620, 183.644 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.470 - 1.800 |
R-factor | 0.17785 |
Rwork | 0.176 |
R-free | 0.21318 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1khr |
RMSD bond length | 0.013 |
RMSD bond angle | 1.408 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.470 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.039 | 0.191 |
Number of reflections | 141725 | |
<I/σ(I)> | 14.4 | 3.9 |
Completeness [%] | 99.8 | 97.6 |
Redundancy | 7.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | PEG 400, TEA, Mg-formate, DMSO, inhibitor, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |