5HZQ
Crystal structure of cellular retinoic acid binding protein 2 (CRABP2)-aryl fluorosulfate covalent conjugate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9784 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.029, 89.732, 92.463 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.370 - 1.750 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB: 2FS6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.346 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.030 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.979 | |
| Number of reflections | 31338 | |
| <I/σ(I)> | 17.5 | 1.7 |
| Completeness [%] | 98.8 | 92.3 |
| Redundancy | 5.3 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% (w/v) PEG3350 and 200 mM KH2PO4, cryoprotected using solution of same condition diluted with glycerol to 30% final glycerol concentration |
