6KKW
Crystal structure of the complex of phosphopantetheine adenylyl transferase from Acinetobacter baumannii with Dephospho Coenzyme at 3.2 A resolution.
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] | 100 |
Detector technology | CCD |
Collection date | 2019-07-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 215.539, 215.539, 215.539 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.497 - 3.202 |
Rwork | 0.175 |
R-free | 0.23270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jog |
RMSD bond length | 0.010 |
RMSD bond angle | 1.821 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.500 | 3.280 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmeas | 0.117 | 0.700 |
Number of reflections | 6957 | 534 |
<I/σ(I)> | 30.61 | 5.02 |
Completeness [%] | 92.3 | |
Redundancy | 8.5 | 13 |
CC(1/2) | 0.980 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 1M LITHIUM SULPHATE, 2M AMMONIUM SULPHATE, 0.1M SODIUM CITRATE, PH 5.6 |