2NU8
C123aT 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 | 2002-03-04 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 96.690, 96.690, 385.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.970 - 2.150 |
R-factor | 0.215 |
Rwork | 0.210 |
R-free | 0.25500 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1jkj |
RMSD bond length | 0.017 |
RMSD bond angle | 2.000 |
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 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.140 | 0.186 |
Number of reflections | 94811 | |
<I/σ(I)> | 7.7 | 1.2 |
Completeness [%] | 89.9 | 51.7 |
Redundancy | 3.2 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 294 | BICINE, Ammonium sulfate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 294K |