1KMJ
E. coli NifS/CsdB protein at 2.0A with the cysteine persulfide intermediate (residue CSS).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97948 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 126.418, 126.418, 133.547 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.178 * |
| Rwork | 0.178 |
| R-free | 0.20800 |
| Structure solution method | Started from native (1JF9) |
| Starting model (for MR) | 1jf9 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.066 * | 0.310 * |
| Total number of observations | 228706 * | |
| Number of reflections | 61210 | |
| <I/σ(I)> | 10 | 2.2 |
| Completeness [%] | 83.5 | 75.5 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 291 | 4M NACL, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH8. |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | 4-4.5 (M) | ||
| 6 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
