2R85
Crystal structure of PurP from Pyrococcus furiosus complexed with AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | H 3 2 |
Unit cell lengths | 123.205, 123.205, 376.298 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.880 - 1.700 |
R-factor | 0.167 |
Rwork | 0.165 |
R-free | 0.18600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r7k |
RMSD bond length | 0.008 |
RMSD bond angle | 1.140 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.052 | 0.034 | 0.284 |
Number of reflections | 119574 | ||
<I/σ(I)> | 12.5 | ||
Completeness [%] | 99.0 | 99.1 | 97 |
Redundancy | 7 | 6.7 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 30% MPD, 200 mM NaCl, 100 mM Tris, pH 7.0, vapor diffusion, hanging drop, temperature 291K |