2PH3
Crystal structure of 3-oxoacyl-[acyl carrier protein] reductase TTHA0415 from Thermus thermophilus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-31 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97240 |
Spacegroup name | P 62 |
Unit cell lengths | 76.525, 76.525, 137.562 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.670 - 1.910 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hq1 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.516 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SGXPRO |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.144 | |
Number of reflections | 35274 | |
<I/σ(I)> | 22.8 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 20.8 | 18.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 289 | 1.0 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (9.5 mg/ml) AND SOLUTION CONTAINING 0.1 M Tris-HCl pH 8.5, 2.4 M di-Ammonium Phosphate, VAPOR DIFFUSION, temperature 289K |