3JXT
Crystal structure of the third PDZ domain of SAP-102 in complex with a fluorogenic peptide-based ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-07 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.597, 54.215, 86.023 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.870 - 1.500 |
| R-factor | 0.18659 |
| Rwork | 0.185 |
| R-free | 0.21442 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3JVQ |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.289 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.061 | 0.240 |
| Number of reflections | 37820 | |
| <I/σ(I)> | 28.19 | 6.94 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 1.0 M Sodium citrate, 0.1 M Tris-HCl pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
