1KMK
E. coli NifS/CsdB protein at 2.20A with the cysteine perselenide intermediate (residue CSZ).
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 | 2001-10-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 125.855, 125.855, 133.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.196 * |
| Rwork | 0.196 |
| R-free | 0.23900 |
| Structure solution method | starting model 1jf9 |
| Starting model (for MR) | 1jf9 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.055 * | 0.400 * |
| Total number of observations | 1806159 * | |
| Number of reflections | 49125 | |
| <I/σ(I)> | 7.2 | 2.1 |
| Completeness [%] | 87.9 | 67.3 |
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 |
