6LVQ

Crystal structure of DUSP22_VO4

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	2017-02-26
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99987
Spacegroup name	P 1 21 1
Unit cell lengths	36.130, 49.736, 39.847
Unit cell angles	90.00, 108.13, 90.00

Refinement procedure

Resolution	28.262 - 1.380
R-factor	0.206
Rwork	0.204
R-free	0.22870
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]	50.000	50.000	1.430
High resolution limit [Å]	1.380	2.970	1.380
Rmerge	0.107	0.044	0.578
Rmeas	0.118	0.051	0.680
Rpim	0.048	0.024	0.353
Total number of observations	152760
Number of reflections	27144	2763	2622
<I/σ(I)>	9.8
Completeness [%]	97.9	96.8	95.1
Redundancy	5.6	4.7	3.3
CC(1/2)		0.995	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES, 2 mM MnCl2, 0.1 mM VO4, 25% PEG 4000