1PSK
THE CRYSTAL STRUCTURE OF AN FAB FRAGMENT THAT BINDS TO THE MELANOMA-ASSOCIATED GD2 GANGLIOSIDE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 287 |
Detector technology | AREA DETECTOR |
Collection date | 1990-10 |
Detector | SIEMENS |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.600, 94.100, 67.400 |
Unit cell angles | 90.00, 101.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.800 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.32600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fbj |
RMSD bond length | 0.008 |
RMSD bond angle | 28.000 * |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | X-PLOR (3.0) |
Refinement software | X-PLOR (3.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.000 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.104 | 0.147 |
Total number of observations | 33212 * | |
Number of reflections | 14677 | 2021 * |
<I/σ(I)> | 2 | |
Completeness [%] | 96.1 | 95.4 |
Redundancy | 2.3 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7.5 | 30% (W/V) PEG 4000, 1% MPD, TRIS BUFFER, PH 7.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | PEG4000 | 30 (%) | |
2 | 1 | 1 | MPD | 1 (%) | |
3 | 1 | 1 | Tris-HCl |