1P3W
X-ray crystal structure of E. coli IscS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.709, 101.974, 108.617 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 5.000 - 2.100 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | T.m. Nifs |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 1.390 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 * | 2.270 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.068 * | 0.245 * |
| Total number of observations | 146645 * | |
| Number of reflections | 46748 | |
| <I/σ(I)> | 7.1 | 2.7 |
| Completeness [%] | 96.9 * | 93.3 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 295.1 | PEG, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 22.1K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG10000 | 12 (%(w/v)) | |
| 2 | 1 | reservoir | PEG2000 | 20 (%(w/v)) | |
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH9. |
| 4 | 1 | reservoir | sodium citrate | 70 (mM) | pH6.5 |
