1QYG
ANTI-COCAINE ANTIBODY M82G2 COMPLEXED WITH BENZOYLECGONINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2002-11-30 |
Detector | MARRESEARCH |
Wavelength(s) | 1.08 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 75.170, 75.170, 151.276 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.810 |
R-factor | 0.178 |
Rwork | 0.178 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1AR3 (CONSTANT DOMAIN) + PDB ENTRY 1AXT (VARIABLE DOMAIN) |
RMSD bond length | 0.033 |
RMSD bond angle | 2.610 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.870 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.046 | 0.359 |
Number of reflections | 38660 | |
<I/σ(I)> | 26.3 | 3.89 |
Completeness [%] | 84.4 | 75.2 |
Redundancy | 4.52 | 4.08 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | 2M ammonium sulfate, 5% iso-propanol, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |