1D6V
CONFORMATION EFFECTS IN BIOLOGICAL CATALYSIS INTRODUCED BY OXY-COPE ANTIBODY MATURATION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.718, 64.446, 73.870 |
| Unit cell angles | 90.00, 99.09, 90.00 |
Refinement procedure
| Resolution | 9.920 - 2.000 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.26500 * |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.270 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | |
| High resolution limit [Å] | 2.000 | |
| Rmerge | 0.076 | 0.176 * |
| Total number of observations | 66483 * | |
| Number of reflections | 28062 * | |
| <I/σ(I)> | 12 | |
| Completeness [%] | 85.2 | 83 * |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 292 | 9% polyethylene glycol 4000 250mM ammonium sulfate 80mM Cadmium Chloride 75mM Hepes 20% 1,4 butanediol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 19K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 10 | 1 | reservoir | TSA1 | 2 (mM) | |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 10 (mM) | |
| 4 | 1 | drop | methionine | 1 (mM) | |
| 5 | 1 | reservoir | cadmium chloride | 80 (mM) | |
| 6 | 1 | reservoir | HEPES | 75 (mM) | |
| 7 | 1 | reservoir | ammonium sulfate | 250 (mM) | |
| 8 | 1 | reservoir | 1,4-butanediol | 20 (%) | |
| 9 | 1 | reservoir | PEG4000 | 9 (%) |
