2W03
Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with adenosine, sulfate and citrate from Pectobacterium Chrysanthemi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-09 |
Detector | MARRESEARCH |
Spacegroup name | P 1 |
Unit cell lengths | 57.650, 69.140, 94.190 |
Unit cell angles | 95.43, 101.45, 95.06 |
Refinement procedure
Resolution | 91.670 - 2.950 |
R-factor | 0.205 |
Rwork | 0.202 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | APO STRUCTURE OF ACSD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.747 |
Data reduction software | XDS |
Data scaling software | SCALA (CCP4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.900 | 3.110 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.140 | 0.440 |
Number of reflections | 29165 | |
<I/σ(I)> | 6.2 | 1.9 |
Completeness [%] | 98.2 | 98.5 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 29% PEG8000, 200 MM (NH4)2SO4, 10 MM SODIUM CITRATE, 5 MM ADENOSINE, 100 MM NACAC PH 6.5 ACSD CONCENTRATION: 9 MG/ML, 3UL PROTEIN AND EQUAL AMOUNTS OF PRECIPITANT USED FOR HANGING DROP METHOD |