7WHU

Human Neutrophil Elastase in-complex with Ecotin Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-23
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 1 2 1
Unit cell lengths	57.242, 68.914, 130.851
Unit cell angles	90.00, 89.90, 90.00

Refinement procedure

Resolution	47.450 - 2.890
R-factor	0.2703
Rwork	0.252
R-free	0.30580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hne
RMSD bond length	0.007
RMSD bond angle	1.033
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.450	2.910
High resolution limit [Å]	2.890	2.890
Number of reflections	22860	2002
<I/σ(I)>	1.81
Completeness [%]	99.1
Redundancy	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5 and 25% w/v Polyethylene glycol 3350 (PEG3350)