6MLY

Bifunctional GH43-CE Bacteroides eggerthii, BACEGG_01304

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-07
Detector	RAYONIX MX300-HS
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	254.734, 93.310, 214.039
Unit cell angles	90.00, 123.38, 90.00

Refinement procedure

Resolution	48.160 - 2.700
R-factor	0.2222
Rwork	0.220
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zxl
RMSD bond length	0.006
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MrBUMP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.161	0.055	1.105
Rmeas	0.192	0.065	1.338
Rpim	0.103	0.035	0.746
Number of reflections	113694	5830	5671
<I/σ(I)>	4.8
Completeness [%]	99.8	98.6	99.9
Redundancy	3.4	3.4	3.1
CC(1/2)		0.984	0.466

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	294	0.2M AmSO4, 0.1M MES pH 6.5, 30% PEG 5k; streak seeding to produce larger crystals