1XDT
COMPLEX OF DIPHTHERIA TOXIN AND HEPARIN-BINDING EPIDERMAL GROWTH FACTOR
Experimental procedure
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-10 |
Detector | MACSCIENCE |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 89.400, 103.700, 127.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.650 |
R-factor | 0.172 |
Rwork | 0.172 |
R-free | 0.29000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mdt |
RMSD bond length | 0.009 |
RMSD bond angle | 24.300 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.052 | 0.152 |
Number of reflections | 54532 | |
<I/σ(I)> | 27.9 | 5 |
Completeness [%] | 88.5 | 79.2 |
Redundancy | 3.6 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 | 23 * | PROTEIN (15 MG/ML) IN 10 MM TRIS-HCL (PH 7.5), 0.15 M NACL MIXED WITH AN EQUAL VOLUME OF PRECIPITANT CONTAINING 50 MM TRIS-HCL (PH 7.5), 0.15 M NACL, 5% (V/V) GLYCEROL, 22-30% (W/V) POLYETHYLENE GLYCOL 3350; AND EQUILIBRATED BY VAPOR DIFFUSION AGAINST PRECIPITANT, vapor diffusion |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 15-30 (mg/ml) | |
2 | 1 | drop | 0.15 (M) | ||
3 | 1 | drop | Tris-HCl | 10 (mM) | |
4 | 1 | reservoir | PEG3350 | 22-30 (%(w/v)) | |
5 | 1 | reservoir | 2.0 (M) | ||
6 | 1 | reservoir | glycerol | 5 (%(v/v)) | |
7 | 1 | reservoir | Tris-HCl | 50 (mM) |