2YIK

Catalytic domain of Clostridium thermocellum CelT

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
Detector	ADSC QUANTUM 310
Spacegroup name	P 43 21 2
Unit cell lengths	96.860, 96.860, 159.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.380 - 2.100
R-factor	0.182
Rwork	0.182
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ia6
RMSD bond length	0.008
RMSD bond angle	1.500
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.060	0.360
Number of reflections	42562
<I/σ(I)>	42.71	6.63
Completeness [%]	94.2	98.8
Redundancy	13.6	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1