4INI

Human Histidine Triad Nucleotide Binding Protein 2 with Bound AMP

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	37.572, 72.770, 77.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.862 - 1.650
R-factor	0.158
Rwork	0.157
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4inc
RMSD bond length	0.006
RMSD bond angle	1.262
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]	77.724	77.724	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge	0.044	0.020	0.372
Total number of observations		5335	24779
Number of reflections	26409
<I/σ(I)>	22.8	30.2	2.1
Completeness [%]	100.0	99.8	100
Redundancy	6.3	5.6	6.6

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