6D2W

Crystal structure of Prevotella bryantii endo-beta-mannanase/endo-beta-glucanase PbGH26A-GH5A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-16
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97914
Spacegroup name	P 1 21 1
Unit cell lengths	54.484, 96.753, 138.089
Unit cell angles	90.00, 99.27, 90.00

Refinement procedure

Resolution	19.812 - 2.100
R-factor	0.147
Rwork	0.146
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wdq 3vdh
RMSD bond length	0.004
RMSD bond angle	0.680
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3026: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.110	0.675
Rpim	0.069	0.444
Number of reflections	80833	3908
<I/σ(I)>	9.89	1.92
Completeness [%]	98.2	95.6
Redundancy	3.2	2.9
CC(1/2)		0.583

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Tris pH 8.5, 1.6 M ammonium sulfate, 12% glycerol, 20 mg/mL protein.