4GWV
Structure of racemic Pin1 WW domain cocrystallized with tri-ammonium citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2011-03-30 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 41/a |
| Unit cell lengths | 64.600, 64.600, 40.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.250 - 3.050 |
| R-factor | 0.2116 |
| Rwork | 0.205 |
| R-free | 0.26939 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.401 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0009) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.250 | 50.000 | 3.160 |
| High resolution limit [Å] | 3.050 | 6.570 | 3.050 |
| Number of reflections | 1615 | ||
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 98.2 | 97.7 | 96.4 |
| Redundancy | 4 | 3.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Peptide stock at 5 mg/mL (2.5 mg/mL L-peptide + 2.5 mg/L D-peptide), crystallized from 1.8 M tri-ammonium citrate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
