2R7N
Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with ADP and FAICAR
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 | 2006-03-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | H 3 2 |
Unit cell lengths | 108.001, 108.001, 254.275 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.550 - 2.400 |
R-factor | 0.215 |
Rwork | 0.212 |
R-free | 0.28000 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.125 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.079 | 0.041 | 0.234 |
Number of reflections | 20891 | ||
<I/σ(I)> | 10.2 | ||
Completeness [%] | 92.0 | 99.5 | 57.4 |
Redundancy | 5 | 5.1 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 291 | 1.2 M (NH4)2SO4, 0.2 M NaCl, 0.1 M Na acetate, pH 4.1, vapor diffusion, hanging drop, temperature 291K |