4RUK
crystal structure of Phosphoapantetheine adenylyltransferase PPAT/CoaD with CoA and pyrophosphate from Pseudomonas aeruginosa
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] | 93 |
Detector technology | CCD |
Collection date | 2014-04-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9748 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 79.603, 89.483, 79.616 |
Unit cell angles | 90.00, 97.93, 90.00 |
Refinement procedure
Resolution | 45.132 - 2.200 |
R-factor | 0.2061 |
Rwork | 0.204 |
R-free | 0.25370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h1t |
RMSD bond length | 0.009 |
RMSD bond angle | 1.262 |
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] | 45.132 | 50.000 | 2.250 |
High resolution limit [Å] | 2.200 | 5.420 | 2.200 |
Number of reflections | 54318 | ||
Completeness [%] | 71.0 | 99.9 | 71 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 20% PEG4000, 0.1M HEPES, 5% Isopropanol, 200mM Sodium aceate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |