1WC7
FAB FRAGMENT OF PLP-DEPENDENT CATALYTIC ANTIBODY 15A9 IN COMPLEX WITH PHOSPHOPYRIDOXYL-L-ALANINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-07-04 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.476, 81.691, 79.330 |
Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.330 |
R-factor | 0.2222 |
R-free | 0.30860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | FAB 15A9 IN COMPLEX WITH PPL-L-LYSINE |
RMSD bond length | 0.004 |
RMSD bond angle | 0.018 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.120 | 0.700 |
Number of reflections | 34338 | |
<I/σ(I)> | 9.3 | 2 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.31 | 3.09 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 30% PEG 3350, 200MM SODIUM REMARK 280 IODIDE, 50MM SODIUM ACETATE, PH 6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K |