4NXQ
Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain Quadruple Mutant (QM) in Complex With Caspr4 Peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-18 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.078, 50.817, 53.036 |
| Unit cell angles | 90.00, 92.29, 90.00 |
Refinement procedure
| Resolution | 37.520 - 2.100 |
| R-factor | 0.1876 |
| Rwork | 0.185 |
| R-free | 0.23560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kzd |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.166 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.520 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.081 | 0.383 |
| Number of reflections | 15923 | |
| <I/σ(I)> | 13.9 | 3.9 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 291 | 0.1M Magnesium chloride, 0.1M MES, pH=6.5, 20% PEG 4000, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
