3PXU
Crystal structure of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei bound to dephospho-coenzyme A
Replaces: 3IKZExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-04 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 134.161, 134.161, 134.161 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.600 - 2.100 |
R-factor | 0.2016 |
Rwork | 0.200 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1B6T molecule A protein only |
RMSD bond length | 0.015 |
RMSD bond angle | 1.463 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.050 | 4.520 | 2.100 |
Rmerge | 0.087 | 0.032 | 0.519 |
Number of reflections | 13128 | ||
<I/σ(I)> | 44.5 | 90.7 | 6.57 |
Completeness [%] | 99.0 | 99.4 | 98.1 |
Redundancy | 23.2 | 27.2 | 22.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Hampton Crystal Screen condition c8, 2.0 M ammonium sulfate, 5.5 mg/mL protein with expression tag removed, crystal tracking ID 203611c8, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K, temperature 298K |