4YH0
Crystal structure of the R111K:Y134F:T54V:R132Q:P39Y:R59Y mutant of human Cellular Retinoic Acid Binding Protein II in complex with Retinal at 2.14 angstrom resolution - UV irradiated crystal - 3rd cycle
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 | 2014-07-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 59.031, 59.031, 101.123 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.949 - 2.144 |
R-factor | 0.2004 |
Rwork | 0.199 |
R-free | 0.23460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g7b |
RMSD bond length | 0.009 |
RMSD bond angle | 1.167 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.075 | 0.542 |
Number of reflections | 11730 | |
<I/σ(I)> | 38.92 | 4.1 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 10.8 | 11.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 12% PEG3350, 0.1M Malonate pH=6.0 |