4NXR
Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain Quadruple Mutant (QM) in Complex With Neurexin-1 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 | 2012-12-14 |
Detector | NOIR-1 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 26.358, 50.323, 61.942 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.060 - 1.900 |
R-factor | 0.1489 |
Rwork | 0.147 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kzd |
RMSD bond length | 0.008 |
RMSD bond angle | 1.157 |
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] | 39.060 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.033 | 0.035 |
Number of reflections | 6821 | |
<I/σ(I)> | 39.7 | 11 |
Completeness [%] | 98.7 | 87.1 |
Redundancy | 6.7 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 291 | 0.1M Sodium acetate, 0.1M HEPES, pH=7.5, 22% PEG 4000, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |