7CM0

Crystal structure of a glutaminyl cyclase in complex with NHV-1009

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	P 3
Unit cell lengths	116.896, 116.896, 99.459
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.740 - 2.200
Rwork	0.290
R-free	0.33460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ywy
RMSD bond length	0.009
RMSD bond angle	1.153
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.470	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	77174	35430
<I/σ(I)>	14.3
Completeness [%]	99.5
Redundancy	11.5
CC(1/2)	0.861	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		291	4M Ammonium acetate, pH 7.0, 0.1M Bis-Tris propane