9GVY

M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 1m conjugate

This is a non-PDB format compatible entry.

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	2021-10-19
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97949
Spacegroup name	P 31 2 1
Unit cell lengths	58.596, 58.596, 101.659
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.440 - 2.050
R-factor	0.19107
Rwork	0.188
R-free	0.25134
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.782
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.830	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.035	0.800
Rmeas	0.040	0.908
Rpim	0.019	0.426
Number of reflections	13237	1009
<I/σ(I)>	27.2	2.4
Completeness [%]	100.0
Redundancy	8.1
CC(1/2)	1.000	0.805

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 polyethylene glycol 3.350