1RUA
Crystal structure (B) of u.v.-irradiated cationic cyclization antibody 4C6 fab at pH 4.6 with a data set collected at SSRL beamline 11-1.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-04-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.03317 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 64.091, 64.091, 266.333 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.750 |
Rwork | 0.194 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ncw |
RMSD bond length | 0.008 |
RMSD bond angle | 2.100 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.062 * | |
Number of reflections | 57518 | |
<I/σ(I)> | 31.7 | 2.9 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 * | 295 | 0.1M sodium acetate, 0.2 M ammonium acetate, 15% (w/v) PEG 4000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 15 (%(w/v)) | |
2 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
3 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
4 | 1 | drop | Fab | 26 (mg/ml) | |
5 | 1 | drop | sodium acetate | 0.1 (M) | pH5.5 |