6LOU

Crystal structure of DUSP22 mutant_C88S/S93N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	90.049, 50.226, 40.938
Unit cell angles	90.00, 93.55, 90.00

Refinement procedure

Resolution	22.471 - 1.530
R-factor	0.1735
Rwork	0.172
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wrm
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.580
High resolution limit [Å]	1.530	3.290	1.530
Rmerge	0.037	0.022	0.247
Rmeas	0.043	0.025	0.312
Rpim	0.023	0.013	0.187
Total number of observations	92975
Number of reflections	27127	2810	2479
<I/σ(I)>	26.8
Completeness [%]	98.3	99.1	91
Redundancy	3.4	3.5	2.5
CC(1/2)		0.999	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.05 M arginine, 0.05 M glutamic acid, 0.4 M NaH2PO4, 1.6 M K2HPO4, 0.2 M NaCl