5GM4

Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellotetrose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	87.907, 85.278, 106.025
Unit cell angles	90.00, 92.47, 90.00

Refinement procedure

Resolution	25.000 - 1.920
R-factor	0.158
Rwork	0.156
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ks4
RMSD bond length	0.010
RMSD bond angle	1.509
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.990
High resolution limit [Å]	1.920	4.130	1.920
Rmerge	0.065	0.037	0.405
Rmeas	0.075
Rpim	0.037
Total number of observations	480843
Number of reflections	118911
<I/σ(I)>	11.6
Completeness [%]	99.9	99.8	100
Redundancy	4	3.9	4
CC(1/2)		0.998	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	lithium sulfate, HEPES, zinc acetate,