2R87
Crystal structure of PurP from Pyrococcus furiosus complexed with ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-01 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.91770 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.095, 127.222, 121.673 |
Unit cell angles | 90.00, 102.85, 90.00 |
Refinement procedure
Resolution | 42.640 - 2.300 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r7k |
RMSD bond length | 0.007 |
RMSD bond angle | 1.067 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0026) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.138 | 0.085 | 0.264 |
Number of reflections | 98928 | ||
<I/σ(I)> | 8.7 | ||
Completeness [%] | 98.8 | 99.6 | 98.5 |
Redundancy | 4.4 | 5.1 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 291 | 10% 2-propanol, 200 mM Li2SO4, 100 mM Na phosphate-citrate, pH 4.2, vapor diffusion, hanging drop, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 291 | 10% 2-propanol, 200 mM Li2SO4, 100 mM Na phosphate-citrate, pH 4.2, vapor diffusion, hanging drop, temperature 291K |