3NXQ

Angiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389) in complex with RXP407

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	72.882, 76.685, 82.646
Unit cell angles	88.63, 64.17, 75.70

Refinement procedure

Resolution	40.810 - 1.990
R-factor	0.19441
Rwork	0.194
R-free	0.23719
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.064
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.990
Number of reflections	106279
<I/σ(I)>	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	150nl condition Morpheus A9 (0.06M divalents, 0.1M Tris/Bicine pH 8.5, 30% PEG550mme/PEG20K) and 150nl additive G10 (0.2% w/v 1,4-Cyclohexanedicarboxylic acid, 0.2% w/v 2,5-Pyridinedicarboxylic acid, 0.2% w/v Glutaric acid, 0.2% w/v trans-1,2-Cyclohexanedicarboxylic acid, 0.2% w/v trans-Aconitic acid, 0.02 M HEPES sodium pH 6.8) , VAPOR DIFFUSION, SITTING DROP, temperature 289K