5G4A
AadA in complex with ATP and magnesium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 193 |
Detector technology | PIXEL |
Collection date | 2014-04-28 |
Detector | DECTRIS PIXEL |
Spacegroup name | P 32 |
Unit cell lengths | 82.330, 82.330, 79.110 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.165 - 1.900 |
R-factor | 0.1784 |
Rwork | 0.176 |
R-free | 0.22220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cs6 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.907 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.165 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.150 | 0.900 |
Number of reflections | 46215 | |
<I/σ(I)> | 13.6 | 2.52 |
Completeness [%] | 96.9 | 90.2 |
Redundancy | 9.7 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 10% W/V PEG 20 000, 20% V/V PEG MME 550, 0.1 M BICINE/TRIZMA BASE PH 8.5, 0.02 M EACH OF SODIUM L-GLUTAMATE, DL-ALANINE, GLYCINE, DL-LYSINE HCL AND DL-SERINE (MORPHEUS SCREEN, MOLECULAR DIMENSIONS) |