6MPC

Crystal structure of E257A mutant of BlMan5B

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	2017-06-08
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	P 21 21 21
Unit cell lengths	75.395, 102.239, 171.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.894 - 1.800
R-factor	0.1846
Rwork	0.184
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.894	43.894	1.910
High resolution limit [Å]	1.800	5.370	1.800
Rmerge	0.083	0.027	1.592
Rmeas	0.092	0.030	1.776
Total number of observations	631088
Number of reflections	122700	4914	19492
<I/σ(I)>	12.47	50.17	1.05
Completeness [%]	99.7	98.9	99.3
Redundancy	5.143	5.371	5.003
CC(1/2)	0.999	0.999	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		273.15	100 mM sodium citrate pH 4.5 and 12-16% PEG 3000