9BCB

Crystal structure of human cellular retinol binding protein 3 in complex with C11 TopFluor MG

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	85
Detector technology	PIXEL
Collection date	2017-03-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	41.213, 46.257, 71.530
Unit cell angles	90.00, 92.10, 90.00

Refinement procedure

Resolution	19.600 - 1.450
R-factor	0.1885
Rwork	0.187
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.121
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.600	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.043	0.545
Rmeas	0.059	0.764
Rpim	0.032	0.535
Number of reflections	47122	2330
<I/σ(I)>	12.2	1.7
Completeness [%]	98.5	98.3
Redundancy	3.3	3.2
CC(1/2)	0.999	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.2 M sodium malonate, pH 5.0 and 20% PEG 3350 (w/v)