9GW0

M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 1l 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	2022-11-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.953738
Spacegroup name	P 31 2 1
Unit cell lengths	57.836, 57.836, 101.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.990 - 2.400
R-factor	0.20595
Rwork	0.201
R-free	0.28117
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.715
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]	50.090	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.078	1.107
Rmeas	0.083	1.160
Rpim	0.025	0.342
Number of reflections	8156	1158
<I/σ(I)>	14.8	2.5
Completeness [%]	100.0	100
Redundancy	10.9	11.2
CC(1/2)	0.998	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	281	0.2 M sodium malonate pH 7 and 20% w/v polyethylene glycol 3.350