6HB3

Structure of Hgh1, crystal form II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00800
Spacegroup name	C 1 2 1
Unit cell lengths	191.798, 69.643, 206.866
Unit cell angles	90.00, 93.75, 90.00

Refinement procedure

Resolution	30.000 - 3.000
R-factor	0.2202
Rwork	0.220
R-free	0.23020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.954
Data reduction software	XDS (VERSION January 10, 2014)
Data scaling software	Aimless (0.1.27)
Phasing software	MOLREP (11.0.05)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.960	47.960	3.090
High resolution limit [Å]	3.000	12.720	3.000
Rmerge	0.104	0.024	0.772
Rmeas	0.123	0.029	0.913
Rpim	0.066	0.015	0.482
Total number of observations		2607	14704
Number of reflections	54838	775	4246
<I/σ(I)>	9.8	35.5	1.5
Completeness [%]	99.3	98	95
Redundancy	3.4	3.4	3.5
CC(1/2)	0.997	0.999	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	16% PEG-3350, 0.1 M Na3-citrate and 20 mM DTT