8I8P
Crystal structure of the complex of phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephosphocoenzyme-A at 2.19 A resolution.
Replaces: 6KYGReplaces: 6JMJExperimental 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 | PSI PILATUS 6M |
Wavelength(s) | 0.97199 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 217.038, 217.038, 217.038 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 125.307 - 2.190 |
Rwork | 0.201 |
R-free | 0.23670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 2.068 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 125.307 | 2.250 |
High resolution limit [Å] | 2.190 | 2.190 |
Number of reflections | 22090 | 1044 |
<I/σ(I)> | 16.2 | |
Completeness [%] | 95.5 | |
Redundancy | 20 | |
CC(1/2) | 0.990 | 0.631 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1M LITHIUM SULPHATE, 2M AMMONIUM SULPHATE, 0.1M SODIUM CITRATE, PH 5.6 |