5U50

Crystal structure of citrus MAF1 in space group C 2 2 21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4586
Spacegroup name	C 2 2 21
Unit cell lengths	140.165, 228.406, 85.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.977 - 2.902
R-factor	0.2237
Rwork	0.222
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.766
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.977	19.977	3.080
High resolution limit [Å]	2.900	8.590	2.900
Rmerge	0.078	0.031	0.845
Rmeas	0.086	0.034	0.936
Total number of observations	179725
Number of reflections	30801	1279	4826
<I/σ(I)>	15.47	47.69	1.99
Completeness [%]	99.5	97.8	98.3
Redundancy	5.835	5.373	5.405
CC(1/2)	0.999	0.999	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291.2	1 M sodium formate, 0.1 M sodium acetate pH 4.6, dioxane 1%