6P8C
2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus
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 | 2012-11-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.91840 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.921, 89.597, 107.013 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.981 - 2.070 |
R-factor | 0.17317 |
Rwork | 0.171 |
R-free | 0.22168 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2azn |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.698 | 45.938 | 2.180 |
High resolution limit [Å] | 2.070 | 6.550 | 2.070 |
Rmerge | 0.041 | 0.684 | |
Rmeas | 0.112 | 0.046 | 0.763 |
Rpim | 0.049 | 0.022 | 0.332 |
Total number of observations | 179331 | 5813 | 25994 |
Number of reflections | 34024 | 1205 | 4865 |
<I/σ(I)> | 10.1 | 22.2 | 2.5 |
Completeness [%] | 99.8 | 99.5 | 99.4 |
Redundancy | 5.3 | 4.8 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 294 | 0.2 M magnesium chloride, 10% (w/v) PEG 8000, 0.1 M Na-Cacodylate pH 6.8 |