1A4J
DIELS ALDER CATALYTIC ANTIBODY GERMLINE PRECURSOR
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-11 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.900, 49.330, 145.000 |
| Unit cell angles | 90.00, 108.74, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a4k |
| RMSD bond length | 0.008 |
| RMSD bond angle | 30.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.044 * | 0.270 * |
| Number of reflections | 63217 | |
| <I/σ(I)> | 16 | 2.4 |
| Completeness [%] | 98.5 | 95.4 |
| Redundancy | 6.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | 4 * | 19% PEG 8K, 20% GLYCEROL, 200MM MG(CH3COO)2, 10MM CDS04 100MM BISTRIS PH 6.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | methionine | 1 (mM) | |
| 5 | 1 | reservoir | PEG | 19 (%) | |
| 6 | 1 | reservoir | glycerol | 20 (%) | |
| 7 | 1 | reservoir | magnesium acetate | 200 (mM) | |
| 8 | 1 | reservoir | Bis-Tris | 100 (mM) | |
| 9 | 1 | reservoir | 10 (mM) |
