3X1K
crystal structure of Phosphoapantetheine adenylyltransferase PPAT/CoaD with AMP-PNP from Pseudomonas aerugonosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 73 |
Detector technology | CCD |
Collection date | 2014-04-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9748 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.325, 89.787, 80.315 |
Unit cell angles | 90.00, 98.27, 90.00 |
Refinement procedure
Resolution | 39.745 - 2.547 |
R-factor | 0.1932 |
Rwork | 0.190 |
R-free | 0.24540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h1t |
RMSD bond length | 0.009 |
RMSD bond angle | 1.337 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.745 | 50.000 | 2.750 |
High resolution limit [Å] | 2.547 | 4.360 | 2.550 |
Number of reflections | 36472 | ||
Completeness [%] | 98.0 | 94 | 98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 295 | 20% PEG4000, 0.1M HEPES, 5% Isopropanol, 200mM Sodium acetate, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 295K |