2W02
Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with ATP from Pectobacterium Chrysanthemi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-01 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.874, 94.542, 157.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 81.110 - 2.200 |
R-factor | 0.219 |
Rwork | 0.216 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | APO STRUCTURE OF ACSD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.333 |
Data reduction software | XDS |
Data scaling software | XSCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.100 | 2.950 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.110 | 0.380 |
Number of reflections | 61355 | |
<I/σ(I)> | 15.7 | 5.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 10.1 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 0.1 M TRIS-HCL PH 7.8, 26% (W/V) PEG8000, 300 MM L-SERINE. 5MM ATP (DISSOLVED IN WATER) WAS PRE-INCUBATED FOR 10 MIN (RT) WITH 6 MG/ML ACSD. PROTEINULLTP PRECIPITATE WAS REMOVED BY CENTRIFUGATION. 1 UL OF SUPERNATANT AND EQUAL AMOUNT OF PRECIPITANT WAS USED IN HANGING DROP CRYSTALLIZATION (298 K). |