1CKU
AB INITIO SOLUTION AND REFINEMENT OF TWO HIGH POTENTIAL IRON PROTEIN STRUCTURES AT ATOMIC RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-04-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.067, 51.389, 92.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.200 |
| R-factor | 0.1315 |
| R-free | 0.17800 |
| Structure solution method | DIRECT METHODS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.029 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.250 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.088 | 0.210 * |
| Total number of observations | 636238 * | |
| Number of reflections | 50551 | |
| <I/σ(I)> | 9 | 5.4 |
| Completeness [%] | 97.4 | 94.4 |
| Redundancy | 12.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.3 | 277 * | 1.3 M AMMONIUM SULPHATE, 40 MM TRIS 180 MM KCL, pH 5.3 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | 90 (mM) | ||
| 4 | 1 | drop | ammonium sulfate | 1 (M) | |
| 5 | 1 | reservoir | ammonium sulfate | 2 (M) |
