6LOT

Crystal structure of DUSP22 mutant_N128D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99984
Spacegroup name	C 1 2 1
Unit cell lengths	90.278, 50.686, 41.097
Unit cell angles	90.00, 91.33, 90.00

Refinement procedure

Resolution	25.874 - 1.690
R-factor	0.1946
Rwork	0.192
R-free	0.21920
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	1.750
High resolution limit [Å]	1.690	3.640	1.690
Rmerge	0.045	0.021	0.350
Rmeas	0.054	0.025	0.416
Rpim	0.028	0.013	0.222
Total number of observations	72939
Number of reflections	20649	2099	1926
<I/σ(I)>	16.6
Completeness [%]	98.4	97.3	92.4
Redundancy	3.5	3.4	3.3
CC(1/2)		0.999	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	293	0.1 M PIPES, 30% PEG 3,350, 0.2 M Li2SO4