7CUD

Crystal structure of HID in the unbound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-18
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 63
Unit cell lengths	76.070, 76.070, 33.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.180 - 1.800
R-factor	0.1569
Rwork	0.155
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dkq
RMSD bond length	0.013
RMSD bond angle	1.715
Data reduction software	MOSFLM (7.1.0)
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.900	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.133	0.524
Number of reflections	10571	1545
<I/σ(I)>	14.5	4.6
Completeness [%]	99.8
Redundancy	10.8
CC(1/2)	0.997	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	20% PEG-MME 2000 (20% w/v), 150mM KBr, 20mM TRIS-HCl