6ZSW

M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 6 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	2019-07-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976230
Spacegroup name	P 31 2 1
Unit cell lengths	58.192, 58.192, 102.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.200 - 2.080
R-factor	0.2079
Rwork	0.207
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yfp
RMSD bond length	0.008
RMSD bond angle	1.763
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]	45.200	2.190
High resolution limit [Å]	2.080	2.080
Rmerge	0.031	0.420
Rmeas	0.034	0.462
Rpim	0.014	0.191
Number of reflections	12539	1774
<I/σ(I)>	20	2.7
Completeness [%]	99.8	100
Redundancy	5.6	5.8
CC(1/2)	1.000	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	281	0.2 M sodium malonate pH 7 and 20 % w/v PEG 3350