4OXI
Crystal structure of Vibrio cholerae adenylation domain AlmE in complex with glycyl-adenosine-5'-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 116.039, 116.039, 99.584 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.785 - 2.261 |
R-factor | 0.1676 |
Rwork | 0.166 |
R-free | 0.19270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PheA (PDB 1AMU residues 17-428) |
RMSD bond length | 0.008 |
RMSD bond angle | 1.085 |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.300 |
High resolution limit [Å] | 2.260 | 6.130 | 2.260 |
Rmerge | 0.107 | 0.044 | 0.916 |
Number of reflections | 36632 | ||
<I/σ(I)> | 16.6 | 3.6 | |
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 10.7 | 10.6 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 50 mM magnesium chloride, 100 mM HEPES pH 7.0 |