7PGM

HHIP-C in complex with heparin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97631
Spacegroup name	C 1 2 1
Unit cell lengths	170.637, 105.252, 148.433
Unit cell angles	90.00, 95.97, 90.00

Refinement procedure

Resolution	84.855 - 2.700
R-factor	0.217
Rwork	0.216
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wft
RMSD bond length	0.004
RMSD bond angle	0.866
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_2645: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	147.600	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.077
Rpim	0.033
Number of reflections	71834	3487
<I/σ(I)>	12.6	0.8
Completeness [%]	99.9	98.4
Redundancy	6.6	5.8
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M bis-Tris pH 6.5, 0.2 M sodium citrate and 20% w/v PEG 3350