3NFD
Chronobacterium ammoniagenes ACPS-CoA complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 1-BM-C |
Synchrotron site | APS |
Beamline | 1-BM-C |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 1999-06-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 |
Unit cell lengths | 54.779, 56.019, 88.279 |
Unit cell angles | 80.88, 76.23, 60.92 |
Refinement procedure
Resolution | 20.000 - 1.890 |
R-factor | 0.21451 |
Rwork | 0.212 |
R-free | 0.25933 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 2.036 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.520 | 1.950 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.050 | 0.150 |
Number of reflections | 52264 | |
<I/σ(I)> | 58.1 | 6.4 |
Completeness [%] | 73.0 | 44.2 |
Redundancy | 0.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 25% PEG MME 5K, 0.1 M MES, 200 mM ammonium sulfate, pH 6.5, EVAPORATION |