4LE5
Structure of an Unusual S-adenosylmethionine synthetase from Campylobacter jejuni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-03-15 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.655, 113.075, 62.179 |
Unit cell angles | 90.00, 116.49, 90.00 |
Refinement procedure
Resolution | 29.940 - 1.700 |
R-factor | 0.22401 |
Rwork | 0.222 |
R-free | 0.26341 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rg9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.230 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.099 | 0.577 |
Number of reflections | 66855 | |
<I/σ(I)> | 8.9 | 1.54 |
Completeness [%] | 80.8 | 72.2 |
Redundancy | 2.6 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 286 | 50 mM Tris-HCl (pH 8.0), 200 mM KCl, 2% ethylene glycol, 1 mM DTT and 12% polyethylene glycol 8000, VAPOR DIFFUSION, HANGING DROP, temperature 286K |