1NN4
Structural Genomics, RpiB/AlsB
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-10 |
| Detector | SBC-2 |
| Wavelength(s) | 0.9795, 0.9797, 0.94656 |
| Spacegroup name | I 41 |
| Unit cell lengths | 145.588, 145.588, 74.784 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.400 - 2.200 |
| R-factor | 0.217 |
| Rwork | 0.216 |
| R-free | 0.26300 * |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.300 * |
| Data reduction software | d*TREK |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.089 | 0.406 |
| Total number of observations | 265246 * | |
| Number of reflections | 38823 | |
| <I/σ(I)> | 18.9 | 3 |
| Completeness [%] | 98.0 | 97.9 |
| Redundancy | 6.83 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 3M Na Acetate, 4% Ethylene Glycol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 5 (M) | ||
| 2 | 1 | reservoir | HEPES | 0.05 (M) | pH6.8-7.5 |
| 3 | 1 | drop | Tris-HCl | 50 (mM) | pH7.8 |
| 4 | 1 | drop | 150 (mM) | ||
| 5 | 1 | drop | MESNA | 5 (mM) | |
| 6 | 1 | drop | protein | 21 (mg/ml) |
