3EII

Zinc-bound glycoside hydrolase 61 E from Thielavia terrestris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.1
Spacegroup name	F 2 3
Unit cell lengths	220.918, 220.918, 220.918
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.250
Rwork	0.217
R-free	0.25050
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	Magnesium-bound glycoside hydrolase 61 E from Thielavia terrestris (deposition in progress)
RMSD bond length	0.010
RMSD bond angle	1.481
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	42338
<I/σ(I)>	9.9	2.1
Completeness [%]	100.0	99.9
Redundancy	6.2	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	1.6 M MgSO4, 0.1 M MES, soaked for a few minutes in 1.8 M ZnSO4, 0.1M Na-cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K