7KMU

Structure of WT Malaysian Banana Lectin

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	2017-11-01
Detector	RAYONIX MX300HE
Wavelength(s)	0.9786
Spacegroup name	P 43 21 2
Unit cell lengths	52.526, 52.526, 221.307
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.790 - 1.510
R-factor	0.183
Rwork	0.182
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bmy
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.540
High resolution limit [Å]	1.510	4.100	1.510
Rmerge	0.060	0.035	0.414
Rmeas	0.062	0.036	0.433
Rpim	0.016	0.010	0.124
Total number of observations	699420
Number of reflections	49873	2818	2414
<I/σ(I)>	11.5
Completeness [%]	99.5	99.4	98.4
Redundancy	14	12.7	11.7
CC(1/2)		0.999	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	1.6M Ammonium Sulfate, 2% Peg 1K, 0.1M HEPES 7.5