Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-04-01 |
Detector | MARRESEARCH |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.060, 65.080, 166.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
Rwork | 0.177 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | FabH-acetyl-CoA complex |
RMSD bond length | 0.011 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.077 | 0.042 |
Number of reflections | 292572 | |
<I/σ(I)> | 3.5 | |
Completeness [%] | 97.0 | 97 |
Redundancy | 6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7 | 298 | PEK4000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | PEG8000 | 20 (%) |