6WEW

Crystal structures of human E-NPP 1: bound to N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953730
Spacegroup name	P 21 21 21
Unit cell lengths	83.131, 161.578, 209.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.920 - 2.730
Rwork	0.210
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wet
RMSD bond length	0.005
RMSD bond angle	1.393
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.967	2.790
High resolution limit [Å]	2.730	2.730
Rpim	0.105	0.765
Number of reflections	76020	4480
<I/σ(I)>	8.4	1.3
Completeness [%]	100.0
Redundancy	11.8
CC(1/2)	0.990	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	7.5 mg/mL protein against 19-22% PEG4000, 240-270 mM trilithium/triammonium/tripotassium citrate