5UNO

Crystal Structure of Hip1 (Rv2224c)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 31 2 1
Unit cell lengths	104.483, 104.483, 128.238
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.083 - 2.603
R-factor	0.2127
Rwork	0.210
R-free	0.24610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.100	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.179	0.170
Number of reflections	25285
<I/σ(I)>	19.3
Completeness [%]	99.9	99.3	100
Redundancy	15.1	5.1	5.5
CC(1/2)		0.968	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	30% (W/V) PEG3350, 0.1 M NaAcetate pH 5.6, 0.2 M (NH4)2SO4, 10% (V/V) glycerol