1KCX
X-ray structure of NYSGRC target T-45
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9A |
| Synchrotron site | NSLS |
| Beamline | X9A |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2000-10-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.984 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 123.396, 152.111, 157.165 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.000 * - 2.120 |
| Rwork | 0.204 |
| R-free | 0.23300 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 * |
| RMSD bond angle | 1.530 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 2.200 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.063 | 0.313 |
| Total number of observations | 753778 * | |
| Number of reflections | 78239 | |
| <I/σ(I)> | 15 | 4 |
| Completeness [%] | 93.4 | 76.8 |
| Redundancy | 10 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 4 * | isopropanol, tris, ammonium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | isopropanol | 30 (%) | |
| 2 | 1 | reservoir | Tris | 100 (mM) | pH8.0 |
| 3 | 1 | reservoir | ammonium acetate | 200 (mM) | |
| 4 | 1 | drop | protein | 20 (mg/ml) |
