6ZSX

M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 4 conjugate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 31 2 1
Unit cell lengths	57.339, 57.339, 102.816
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.660 - 2.400
R-factor	0.1987
Rwork	0.196
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yfp
RMSD bond length	0.007
RMSD bond angle	1.711
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.410	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.064	0.391
Rmeas	0.068	0.417
Rpim	0.024	0.143
Number of reflections	8107	1148
<I/σ(I)>	14.5	3.3
Completeness [%]	100.0	100
Redundancy	8.2	8.3
CC(1/2)	0.999	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	281	0.1 M sodium malonate pH 7 and 20 % w/v PEG 3350