3O2W
Crystal structure of the 1E9 PheL89Ser/LeuH47Trp/MetH100bPhe Fab in complex with a 39A11 transition state analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-21 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.059658 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 128.203, 128.203, 92.144 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.550 |
R-factor | 0.20907 |
Rwork | 0.207 |
R-free | 0.24825 |
Structure solution method | rigid body refinement |
Starting model (for MR) | 1E9 PheL89Ser/LeuH47Trp/MetH100bPhe Fab apo structure |
RMSD bond length | 0.019 |
RMSD bond angle | 1.740 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.550 | 2.550 |
Number of reflections | 28353 | |
<I/σ(I)> | 14.6 | 1.7 |
Completeness [%] | 98.6 | 99.9 |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 2.25M ammoniumsulfate, 0.15M sodiumcitrate, 0.01% PEG20000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |