1OAO
NiZn[Fe4S4] and NiNi[Fe4S4] clusters in closed and open alpha subunits of acetyl-CoA synthase/carbon monoxide dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-15 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 244.570, 81.890, 167.220 |
| Unit cell angles | 90.00, 96.19, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.900 |
| R-factor | 0.149 |
| Rwork | 0.147 |
| R-free | 0.17900 |
| Structure solution method | MOLECULAR REPLACEMENT AND MAD |
| Starting model (for MR) | 1JJY |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.400 * |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.27) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.053 | 0.238 |
| Number of reflections | 239946 * | |
| Completeness [%] | 94.4 | 67.9 |
| Redundancy | 1.8 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | 20 * | pH 7.20 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | pH8.0 |
| 3 | 1 | drop | sodium dithionite | 2 (mM) | |
| 4 | 1 | drop | dithiothreitol | 10 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | 1.95-2.10 (M) | |
| 6 | 1 | reservoir | HEPES | 100 (mM) | pH7.0-7.3 |
| 7 | 1 | reservoir | PEG400 | 3-5 (%(w/v)) | |
| 8 | 1 | reservoir | sodium dithionite | 2 (mM) | |
| 9 | 1 | reservoir | NDSB195 | 100-200 (mM) |
