3FO1
Crystal structure of hapten complex of catalytic elimination antibody 13G5 (Glu(L39)Ala mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-04 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.602, 87.021, 84.401 |
Unit cell angles | 90.00, 91.34, 90.00 |
Refinement procedure
Resolution | 42.840 - 2.200 |
R-factor | 0.22786 |
Rwork | 0.225 |
R-free | 0.28139 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gjz |
RMSD bond length | 0.012 |
RMSD bond angle | 1.421 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.250 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 43563 | |
<I/σ(I)> | 22.3 | 2.4 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 25% PEG 3350, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |