4LMM
Crystal structure of NHERF1 PDZ1 domain complexed with the CXCR2 C-terminal tail in P21 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.593, 45.509, 33.446 |
| Unit cell angles | 90.00, 109.71, 90.00 |
Refinement procedure
| Resolution | 25.890 - 1.100 |
| R-factor | 0.1897 |
| Rwork | 0.188 |
| R-free | 0.21690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jl7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.500 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.024 | 0.180 |
| Number of reflections | 30032 | |
| <I/σ(I)> | 24.8 | 4.5 |
| Completeness [%] | 100.0 | 86 |
| Redundancy | 3.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 100 mM sodium acetate, 0.2 M ammonium acetate, 24% PEG4000, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
