4YH0

Crystal structure of the R111K:Y134F:T54V:R132Q:P39Y:R59Y mutant of human Cellular Retinoic Acid Binding Protein II in complex with Retinal at 2.14 angstrom resolution - UV irradiated crystal - 3rd cycle

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	59.031, 59.031, 101.123
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.949 - 2.144
R-factor	0.2004
Rwork	0.199
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g7b
RMSD bond length	0.009
RMSD bond angle	1.167
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.140	2.140
Rmerge	0.075	0.542
Number of reflections	11730
<I/σ(I)>	38.92	4.1
Completeness [%]	100.0	99.9
Redundancy	10.8	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	12% PEG3350, 0.1M Malonate pH=6.0