6Z2U

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	56.530, 56.530, 103.664
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.310 - 2.400
R-factor	0.2162
Rwork	0.214
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yfp
RMSD bond length	0.005
RMSD bond angle	1.412
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]	103.660	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.053	0.421
Rmeas	0.057	0.449
Rpim	0.020	0.154
Number of reflections	7957	1131
<I/σ(I)>	18.7	2.9
Completeness [%]	100.0	100
Redundancy	8.2	8.4
CC(1/2)	1.000	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	0.2 M sodium malonate pH 6 and 20% w/v polyethylene glycol 3,350