7CBK

Structure of Human Neutrophil Elastase Ecotin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-07
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	43.192, 165.102, 63.998
Unit cell angles	90.00, 108.75, 90.00

Refinement procedure

Resolution	24.426 - 2.700
R-factor	0.2047
Rwork	0.199
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hne 1ecz
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	23724	1127
<I/σ(I)>	17.7
Completeness [%]	99.9
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5 and 25% w/v Polyethylene glycol 3,350