5KM3

Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) UMP catalytic product complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2015-09-24
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	78.133, 46.305, 63.862
Unit cell angles	90.00, 94.44, 90.00

Refinement procedure

Resolution	63.671 - 1.200
R-factor	0.1646
Rwork	0.164
R-free	0.18060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tw2
RMSD bond length	0.006
RMSD bond angle	1.183
Data reduction software	XDS
Data scaling software	Aimless (0.5.9)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.671	63.670	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.047	0.020	0.358
Number of reflections	70340
<I/σ(I)>	17.4
Completeness [%]	98.9	89.5	89.8
Redundancy	3.4	3.3	2.4
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	100 mM MES, 38% PEG 8000,