4ZGZ

STRUCTURE OF HUMAN ANTIZYME INHIBITOR IN COMPLEX WITH A C-TERMINAL FRAGMENT OF ANTIZYME

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 32
Unit cell lengths	166.563, 166.563, 144.864
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.920 - 5.810
R-factor	0.191
Rwork	0.188
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3btn
RMSD bond length	0.003
RMSD bond angle	0.849
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE:1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	6.290
High resolution limit [Å]	5.800	5.840
Number of reflections	12070
<I/σ(I)>	11
Completeness [%]	97.1	99.9
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1M N-(2-ACETAMIDO)IMINODIACETIC ACID (ADA) PH 6.5, 1.0M AMMONIUM SULFATE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K