7PGN

HHP-C in complex with glycosaminoglycan mimic SOS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 31 2 1
Unit cell lengths	100.560, 100.560, 311.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.090 - 2.400
R-factor	0.1922
Rwork	0.190
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wft
RMSD bond length	0.008
RMSD bond angle	1.075
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.097
Rpim	0.022
Number of reflections	72635	3547
<I/σ(I)>	21.4	0.8
Completeness [%]	100.0	99.9
Redundancy	19.9	20
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 Tris/Bicine pH 8.5, 0.03 M magnesium chloride, 0.03 M calcium chloride, 10% w/v PEG 20 000 and 20% v/v PEG MME 550