6P2N

Crystal structure of Paenibacillus graminis GH74 (PgGH74)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	57.494, 86.214, 130.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.451 - 1.350
R-factor	0.1499
Rwork	0.149
R-free	0.17990
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.289
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.15_3448: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.049	0.838
Rpim	0.021	0.449
Number of reflections	136921	6842
<I/σ(I)>	31	1.7
Completeness [%]	96.1	96.8
Redundancy	6.1	4.2
CC(1/2)		0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	5% (w/v) PEG3350, 0.2 M sodium chloride, 0.1 M sodium citrate pH 5.6, 0.5% (w/v) glycerol