6L1S

Crystal structure of DUSP22 mutant_C88S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-12-10
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	89.615, 49.714, 39.823
Unit cell angles	90.00, 94.72, 90.00

Refinement procedure

Resolution	22.331 - 1.361
R-factor	0.1805
Rwork	0.180
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wrm
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (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	1.410
High resolution limit [Å]	1.360	2.930	1.360
Rmerge	0.033	0.023	0.227
Rmeas	0.039	0.027	0.264
Rpim	0.020	0.014	0.134
Total number of observations	137519
Number of reflections	36409	3661	3550
<I/σ(I)>	20.6
Completeness [%]	97.3	95.3	95.9
Redundancy	3.8	3.6	3.8
CC(1/2)		0.999	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	0.2M Imidazole, 0.4M NaH2PO4/1.6M K2HPO4, 0.2M NaCl