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) |