3FEP
Crystal structure of the R132K:R111L:L121E:R59W-CRABPII mutant complexed with a synthetic ligand (merocyanin) at 2.60 angstrom resolution.
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 | 2007-10-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97850 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 55.808, 55.808, 108.177 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.130 - 2.600 |
| R-factor | 0.2354 |
| Rwork | 0.232 |
| R-free | 0.29309 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g7b |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.886 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.340 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.058 | 0.544 |
| Number of reflections | 5671 | |
| <I/σ(I)> | 43.3 | 1.9 |
| Completeness [%] | 88.4 | 41.3 |
| Redundancy | 9.2 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 277 | 0.1M MES, 0.2M ammonium sulfate, 30% PEGMME 5000, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
