3LNX
Second PDZ domain from human PTP1E
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0809 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.023, 95.148, 101.989 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.643 - 1.642 |
R-factor | 0.197 |
Rwork | 0.196 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.181 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.642 | 1.650 |
Rmerge | 0.114 | 0.856 |
Number of reflections | 74902 | |
<I/σ(I)> | 12.8 | |
Completeness [%] | 98.6 | 73.6 |
Redundancy | 16.2 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 28% PEG 3350, 0.2 M KI, 0.2 M NaSCN, 0.1 M NaAc, pH 4.5, hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 28% PEG 3350, 0.2 M KI, 0.2 M NaSCN, 0.1 M NaAc, pH 4.5, hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP |