2NUB
Structure of Aquifex aeolicus Argonuate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 125.000, 125.000, 253.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.500 - 3.200 |
Rwork | 0.234 |
R-free | 0.31100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1YVU.pdb |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 500.000 | 3.370 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.145 | 0.852 |
Number of reflections | 16989 | |
<I/σ(I)> | 4.5 | 1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.9 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |