6Z2Z

M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 2a 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	2019-03-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	P 31 2 1
Unit cell lengths	58.794, 58.794, 101.152
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.920 - 2.550
R-factor	0.2078
Rwork	0.205
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yfp
RMSD bond length	0.012
RMSD bond angle	1.679
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]	101.150	2.690
High resolution limit [Å]	2.550	2.550
Rmerge	0.060	0.454
Rmeas	0.064	0.485
Rpim	0.023	0.170
Number of reflections	6999	986
<I/σ(I)>	16.6	3.5
Completeness [%]	100.0	100
Redundancy	7.9	8
CC(1/2)	0.997	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	0.2 M sodium malonate pH 7 and 20% w/v polyethylene glycol 3,350