7AA1

Structural comparison of cellular retinoic acid binding proteins I and II in the presence and absence of natural and synthetic ligands

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	120
Detector technology	PIXEL
Collection date	2019-04-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 3
Unit cell lengths	78.560, 78.560, 78.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.398 - 1.710
Rwork	0.180
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5obg
RMSD bond length	0.012
RMSD bond angle	1.754
Data reduction software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.398	45.360	1.740
High resolution limit [Å]	1.710	9.050	1.710
Rmerge	0.077	0.036	2.227
Rmeas	0.082	0.038	2.356
Rpim	0.026	0.013	0.760
Number of reflections	17775	2123	17213
<I/σ(I)>	18.8
Completeness [%]	100.0
Redundancy	18.3	14.3	18.3
CC(1/2)	0.999	0.999	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG based vapor diffusion