1A4K
DIELS ALDER CATALYTIC ANTIBODY WITH TRANSITION STATE ANALOGUE
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 | P 21 21 21 |
| Unit cell lengths | 69.316, 96.823, 172.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tet |
| RMSD bond length | 0.007 |
| RMSD bond angle | 30.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.047 * | |
| Total number of observations | 243063 * | |
| Number of reflections | 45827 | |
| <I/σ(I)> | 21 | 6 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 5.3 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | 4 * | 17% PEG 8K, 200MM (NH4)2SO4, 10MM CDS0 100MM TRIS PH 8.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | with stoichiometric hapten |
| 2 | 1 | reservoir | Tris | 10 (mM) | |
| 3 | 1 | reservoir | 100 (mM) | ||
| 4 | 1 | reservoir | methionine | 1 (mM) |
