9JEV

Crystal structure of a cupin protein (tm1459) in zinc (Zn) substituted form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-21
Detector	RAYONIX MX300HE
Wavelength(s)	0.900
Spacegroup name	P 21 21 21
Unit cell lengths	50.598, 57.871, 74.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.120
R-factor	0.1388
Rwork	0.138
R-free	0.17670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wsd
RMSD bond length	0.011
RMSD bond angle	0.025
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.140
High resolution limit [Å]	1.120	1.120
Rmerge	0.084	0.757
Number of reflections	85007	4227
<I/σ(I)>	21.76	2.64
Completeness [%]	99.8	100
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	25%(w/v) Jeffamine ED-2001, 0.1 M MES