1IN0
YAJQ PROTEIN (HI1034)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 62.800, 62.800, 194.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.140 |
| Rwork | 0.193 |
| R-free | 0.26800 * |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.190 |
| High resolution limit [Å] | 2.100 * | 2.140 |
| Rmerge | 0.068 | 0.118 |
| Total number of observations | 215822 * | |
| Number of reflections | 22374 * | |
| <I/σ(I)> | 36.5 | 11.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.6 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 295 | Na Formate, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | protein | 10 (mg/ml) | |
| 10 | 1 | drop | 100 (mM) | ||
| 2 | 1 | reservoir | sodium formate | 4.5-5.0 (M) | |
| 3 | 1 | reservoir | dioxane | 3 (%) | |
| 4 | 1 | reservoir | MES | 50 (mM) | pH6.0 |
| 5 | 1 | drop | protein | 15 (mg/ml) | |
| 6 | 1 | drop | Tris-HCl | 50 (mM) | pH7.5 |
| 7 | 1 | drop | EDTA | 1 (mM) | |
| 8 | 1 | drop | dithiothreitol | 1 (mM) | |
| 9 | 1 | drop | PMSF | 0.1 (mM) |
