7KMV

Structure of Malaysian Banana Lectin F84T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-19
Detector	RAYONIX MX300HE
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	79.247, 157.871, 204.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.060 - 1.800
R-factor	0.199
Rwork	0.198
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bmy
RMSD bond length	0.009
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.084	0.045	0.662
Rmeas	0.090	0.049	0.716
Rpim	0.034	0.019	0.271
Total number of observations	1657573
Number of reflections	234462	12306	11570
<I/σ(I)>	6.7
Completeness [%]	99.8	99.4	99.5
Redundancy	7.1	7	6.9
CC(1/2)		0.998	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	1.8M Ammonium Sulfate, 5% Peg 400, 0.1M MES 6.5