1KNO
CRYSTAL STRUCTURE OF THE COMPLEX OF A CATALYTIC ANTIBODY FAB WITH A TRANSITION STATE ANALOG: STRUCTURAL SIMILARITIES IN ESTERASE-LIKE ABZYMES
Experimental procedure
Source type | SYNCHROTRON |
Source details | LURE BEAMLINE DW32 |
Synchrotron site | LURE |
Beamline | DW32 |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 1994-11-23 |
Detector | MARRESEARCH |
Wavelength(s) | 0.901 |
Spacegroup name | P 1 |
Unit cell lengths | 74.100, 76.900, 88.300 |
Unit cell angles | 93.80, 93.90, 115.60 |
Refinement procedure
Resolution | 7.000 - 3.200 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.27200 |
RMSD bond length | 0.020 |
RMSD bond angle | 27.800 * |
Data reduction software | MOSFLM (5.2) |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | |
High resolution limit [Å] | 3.200 | 3.200 * |
Rmerge | 0.112 | |
Number of reflections | 27401 | |
Completeness [%] | 96.0 | 89 * |
Redundancy | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8 | pH 8.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
10 | 1 | reservoir | 0.5 (mM) | ||
11 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
12 | 1 | reservoir | 0.05 (%) | ||
13 | 1 | reservoir | 0.15 (M) | ||
2 | 1 | drop | PEG10000 | 8 (%(w/v)) | |
3 | 1 | drop | glycerol | 17 (%(v/v)) | |
4 | 1 | drop | 0.5 (mM) | ||
5 | 1 | drop | hapten 3 | 1 (mM) | |
6 | 1 | drop | Tris-HCl | 0.1 (M) | |
7 | 1 | drop | 0.05 (%) | ||
8 | 1 | reservoir | PEG10000 | 8 (%(w/v)) | |
9 | 1 | reservoir | glycerol | 17 (%(v/v)) |