5ETO
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.07 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 | 2015-04-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.770, 57.750, 38.420 |
Unit cell angles | 90.00, 115.46, 90.00 |
Refinement procedure
Resolution | 34.690 - 1.070 |
R-factor | 0.12994 |
Rwork | 0.129 |
R-free | 0.14996 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5etk |
RMSD bond length | 0.019 |
RMSD bond angle | 1.968 |
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] | 34.690 | 1.090 |
High resolution limit [Å] | 1.070 | 1.070 |
Rmerge | 0.097 | 0.819 |
Number of reflections | 61436 | |
<I/σ(I)> | 10.1 | 2 |
Completeness [%] | 98.6 | 96.8 |
Redundancy | 7.1 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.88 | 293 | PROTEIN 6.6 MG/ML 1 MM AMPCPP, 1 MM INHIBITOR, 2 MM MAGNESIUM CHLORIDE, 22%w/v PEG4000, 0.1 M SODIUM HEPES, 0.22 M CACL2 |