7AA0

Structural comparison of cellular retinoic acid binding protein 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 I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	PIXEL
Collection date	2018-03-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	39.550, 49.920, 67.380
Unit cell angles	90.00, 96.03, 90.00

Refinement procedure

Resolution	40.064 - 1.820
Rwork	0.197
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ogb
RMSD bond length	0.009
RMSD bond angle	1.550
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]	49.920	49.920	1.860
High resolution limit [Å]	1.820	9.100	1.820
Rmerge	0.065	0.026	0.735
Rmeas	0.089	0.037	1.003
Rpim	0.061	0.026	0.678
Number of reflections	23023	604	4918
<I/σ(I)>	10.4
Completeness [%]	97.6
Redundancy	3.5	2.9	3.7
CC(1/2)	0.996	0.998	0.486

Crystallization Conditions

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