6JNH
Crystal structure of the complex of Phosphopantetheine adenylyltransferasefrom Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-01 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97119 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 216.710, 216.710, 216.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 125.120 - 2.000 |
R-factor | 0.19954 |
Rwork | 0.199 |
R-free | 0.21506 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6j3m |
RMSD bond length | 0.016 |
RMSD bond angle | 2.325 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 125.120 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rpim | 0.040 | 0.886 |
Number of reflections | 29100 | 1461 |
<I/σ(I)> | 10.9 | |
Completeness [%] | 97.7 | 68.6 |
Redundancy | 20 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1M LITHIUM SULPHATE, 0.5M AMMONIUM SULPHATE, 0.1M SODIUM CITRATE, pH 5.6 |