7W2S

Crystal structure of TxGH116 E730A mutant from Thermoanaerobacterium xylanolyticum with glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	177.364, 54.708, 83.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.850
R-factor	0.1564
Rwork	0.154
R-free	0.19340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bvu
RMSD bond length	0.013
RMSD bond angle	1.569
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.113	0.722
Number of reflections	70181	6871
<I/σ(I)>	16.5	1.9
Completeness [%]	99.8	99.5
Redundancy	6.7
CC(1/2)		0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	0.2 M AMMONIUM SULFATE, 22% PEG 3350, 0.1 M MES, PH 5.5