5WM3
Crystal Structure of CahJ in Complex with Salicyl Adenylate
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 | PIXEL |
Collection date | 2015-06-08 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 122.413, 122.413, 88.092 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.418 - 1.679 |
R-factor | 0.1742 |
Rwork | 0.173 |
R-free | 0.20460 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5wm2 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.888 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.418 | 45.418 | 1.780 |
High resolution limit [Å] | 1.679 | 5.010 | 1.679 |
Rmerge | 0.120 | 0.092 | 0.584 |
Rmeas | 0.142 | 0.110 | 0.697 |
Number of reflections | 85969 | 3395 | 13691 |
<I/σ(I)> | 5.86 | 12.81 | 1.54 |
Completeness [%] | 98.9 | 98 | 98.4 |
Redundancy | 3.386 | 3.253 | 3.318 |
CC(1/2) | 0.985 | 0.980 | 0.663 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 100 mM Sodium Cacodylate pH 6.5, 1.7 M Sodium Acetate |