6AGQ

Acetyl xylan esterase from Paenibacillus sp. R4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	200
Detector technology	CCD
Collection date	2017-07-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9796
Spacegroup name	C 1 2 1
Unit cell lengths	153.797, 141.659, 105.369
Unit cell angles	90.00, 104.49, 90.00

Refinement procedure

Resolution	49.390 - 2.100
R-factor	0.20116
Rwork	0.198
R-free	0.25438
RMSD bond length	0.017
RMSD bond angle	1.806
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	121844
<I/σ(I)>	27.2
Completeness [%]	96.8
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	1.8 M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH 5.0