4INC

Human Histidine Triad Nucleotide Binding Protein 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	37.826, 74.952, 77.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.018 - 1.190
R-factor	0.1608
Rwork	0.160
R-free	0.17810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1av5
RMSD bond length	0.005
RMSD bond angle	1.270
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.796	77.796	1.250
High resolution limit [Å]	1.190	3.760	1.190
Rmerge	0.051	0.032	0.320
Total number of observations		14423	45291
Number of reflections	71181
<I/σ(I)>	19.2	18.1	2.1
Completeness [%]	99.2	99.6	95.5
Redundancy	6.1	5.8	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM MES, 40% PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K