4ZR2

Crystal Structure of the Domain-Swapped Dimer K40L:Q108K:Y60W mutant of Human Cellular Retinol Binding Protein II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978
Spacegroup name	P 21 21 2
Unit cell lengths	62.768, 109.225, 36.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.201 - 1.802
R-factor	0.18
Rwork	0.176
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rct
RMSD bond length	0.008
RMSD bond angle	1.105
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.802	1.802
Rmerge	0.047	0.465
Number of reflections	23839
<I/σ(I)>	6.23
Completeness [%]	99.9	99.9
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	25% PEG 4000 (40%), 0.1M Sodium Acetate pH 4.5, Ammonium Acetate 0.1M