1JGU
STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-01-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.370, 48.630, 69.370 |
| Unit cell angles | 90.00, 106.77, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.039 | 0.493 |
| Number of reflections | 40444 | |
| <I/σ(I)> | 14 | |
| Completeness [%] | 99.2 | 99 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 5.5 * | 296 | PEG 4K, 10% isopropanol, 10% HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 23K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 16 (mg/ml) | |
| 2 | 1 | 1 | sodium acetate | 0.2 (M) | pH5.5 |
| 3 | 1 | 2 | PEG4000 | 18-21 (%(w/v)) | |
| 4 | 1 | 2 | isopropanol | 0.1 (M) | |
| 5 | 1 | 2 | HEPES | 0.1 (M) | pH7.5 |
