1BI3
STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS |
| Synchrotron site | NSLS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 63.400, 63.400, 213.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.400 |
| R-factor | 0.253 |
| Rwork | 0.253 |
| R-free | 0.33300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.440 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.178 |
| Total number of observations | 177437 * | |
| Number of reflections | 19014 | |
| <I/σ(I)> | 17 | 7.2 |
| Completeness [%] | 96.0 | 91 |
| Redundancy | 9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | Qiu, X., (1995) Structure (London), 3, 87. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3 (mg/ml) | |
| 2 | 1 | drop | 0.5 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 50 (mM) | pH8.0 |
| 4 | 1 | drop | ammonium sulfate | 1.0 (M) | |
| 5 | 1 | drop | 2-mercaptoethanol | 20 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 1.8-2.0 (M) | |
| 7 | 1 | reservoir | 10 (mM) |
