8DB2

Q108K:K40L:T51C:T53A:R58L:Q38F mutant of hCRBPII bound to synthetic fluorophore CM1V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-27
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.54184
Spacegroup name	C 1 2 1
Unit cell lengths	29.075, 66.292, 63.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.590 - 1.500
R-factor	0.2292
Rwork	0.225
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qyn
RMSD bond length	0.006
RMSD bond angle	0.880
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.590	1.560
High resolution limit [Å]	1.500	1.500
Rmerge		0.460
Number of reflections	18253	1828
<I/σ(I)>	24.78	0.76
Completeness [%]	95.8	83.9
Redundancy	2.3	1.5
CC(1/2)	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	297	PEG 4000, Ammonium Acetate, Sodium Acetate, pH 4.0 - 4.8