2NU6
C123aA Mutant of E. coli Succinyl-CoA Synthetase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-06-14 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 97.220, 97.220, 386.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.370 - 2.550 |
R-factor | 0.202 |
Rwork | 0.196 |
R-free | 0.24700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2scu |
RMSD bond length | 0.020 |
RMSD bond angle | 2.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.590 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.141 | 0.291 |
Number of reflections | 56818 | |
<I/σ(I)> | 9.8 | 1.4 |
Completeness [%] | 88.8 | 72.8 |
Redundancy | 4.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 294 | BICINE, ammonium sulfate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K |