1NE8
YDCE protein from Bacillus subtilis
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9A |
| Synchrotron site | NSLS |
| Beamline | X9A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9790, 0.97938, 0.97163 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 56.630, 56.630, 138.257 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.860 - 2.100 |
| R-factor | 0.1619 |
| Rwork | 0.159 |
| R-free | 0.21000 * |
| Structure solution method | MAD |
| RMSD bond length | 0.020 * |
| RMSD bond angle | 1.640 * |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.054 * | 0.198 * |
| Total number of observations | 80833 * | |
| Number of reflections | 8244 * | |
| <I/σ(I)> | 19.6 | 8.86 |
| Completeness [%] | 99.5 | 98.5 |
| Redundancy | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 22 * | 12% PEG 4,000 0.1M Sodium Acetate pH 4.6, 0.2M Ammonium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8.9 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH8.0 |
| 3 | 1 | drop | 150 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 12 (%) | |
| 6 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
| 7 | 1 | reservoir | ammonium acetate | 0.2 (M) |
