5ETM
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.46 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.763, 57.631, 38.407 |
Unit cell angles | 90.00, 115.49, 90.00 |
Refinement procedure
Resolution | 34.670 - 1.460 |
R-factor | 0.2063 |
Rwork | 0.204 |
R-free | 0.23939 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5etk |
RMSD bond length | 0.021 |
RMSD bond angle | 2.206 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.670 | 1.480 |
High resolution limit [Å] | 1.460 | 1.460 |
Rmerge | 0.097 | 0.662 |
Number of reflections | 24472 | |
<I/σ(I)> | 11.6 | 2.7 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 7.1 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.55 | 293 | Protein 6.6 mg/mL, 1 mM AMPCPP, 1 mM inhibitor, 2 mM Magnesium Chloride, 27.5 %w/v PEG4000, 0.1 M sodium HEPES, 0.196 M Calcium Chloride |