1IY7

Crystal Structure of CPA and sulfamide-based inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	51.688, 60.467, 47.256
Unit cell angles	90.00, 82.55, 90.00

Refinement procedure

Resolution	99.000 * - 2.000
R-factor	0.175
Rwork	0.175
R-free	0.20800
RMSD bond length	0.005
RMSD bond angle	1.200 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall
Low resolution limit [Å]	99.000 *
High resolution limit [Å]	2.000
Rmerge	0.108 *
Number of reflections	19491
Completeness [%]	99.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7.5 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		1.2 (M)
2	1	1	Tris-HCl	20 (mM)	pH7.5
3	1	2		0.2 (M)
4	1	2	Tris-HCl	20 (mM)	pH7.5