5Z5N

Crystal structure of ConA-R1M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9716
Spacegroup name	P 21 21 21
Unit cell lengths	66.210, 118.820, 120.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.590 - 2.040
R-factor	0.17168
Rwork	0.169
R-free	0.22482
RMSD bond length	0.018
RMSD bond angle	1.961
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.000	2.120
High resolution limit [Å]	2.040	2.040
Number of reflections	60995
<I/σ(I)>	3.6
Completeness [%]	97.2
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	300	20% polyethylene glycol 6000, 20 mM HEPES, 100 mM NaCl, 5 mM CaCl2, 5 mM MnCl2 pH 7.2