3PKP
Q83S Variant of S. Enterica RmlA with dATP
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 | CCD |
Collection date | 2009-03-09 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 109.879, 134.313, 175.829 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.387 - 2.600 |
R-factor | 0.2013 |
Rwork | 0.200 |
R-free | 0.25970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.491 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
Rmerge | 0.080 | 0.028 | 0.588 |
Number of reflections | 77557 | ||
<I/σ(I)> | 10 | ||
Completeness [%] | 96.2 | 99.4 | 79.5 |
Redundancy | 6.9 | 6.9 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Protein Solution (12 mg/ml RmlA Q83S protein, 10mM MOPS pH 7.5, 25mM dATP) mixed in a 1:1 ratio with the well solution (20% MEPEG5K, 120mM MgCl2, 100mM Tris pH 8.5, 1mM Suramine) Cryoprotected with 20% Ethylene Glycol, 20% MEPEG5K, 120mM MgCl2, 100mM Tris pH 8.5, 1mM Suramine, VAPOR DIFFUSION, HANGING DROP, temperature 298K |