6FHP

DAIP in complex with a C-terminal fragment of thermolysin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-26
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.541870
Spacegroup name	P 1 21 1
Unit cell lengths	64.070, 90.050, 69.070
Unit cell angles	90.00, 99.04, 90.00

Refinement procedure

Resolution	31.148 - 1.703
R-factor	0.1877
Rwork	0.186
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fzp
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.148	31.148	1.800
High resolution limit [Å]	1.700	10.000	1.700
Rmerge	0.035	0.015	0.446
Rmeas	0.043	0.017	0.631
Total number of observations	229037
Number of reflections	82461	421	11847
<I/σ(I)>	17.95	63.17	1.81
Completeness [%]	96.9	93.8	89
Redundancy	2.778	3.211	1.684
CC(1/2)	0.999	1.000	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	117 mM ammonium sulfate, 83.3 mM sodium acetate pH 5.6 and 25.3 % (w/v) PEG 1500