4HAP

Crystal Structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with cellobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9173
Spacegroup name	P 1
Unit cell lengths	52.260, 54.190, 72.450
Unit cell angles	94.26, 96.02, 94.99

Refinement procedure

Resolution	39.900 - 1.600
R-factor	0.1467
Rwork	0.144
R-free	0.19060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gwa
RMSD bond length	0.021
RMSD bond angle	2.009
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.795	39.905	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge		0.062	0.595
Rmeas		0.074	0.721
Rpim		0.040	0.400
Total number of observations		10698	42611
Number of reflections	96748
<I/σ(I)>	7.6	15.5	2.2
Completeness [%]	93.4	97	91.9
Redundancy	3.3	3.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	289	0.1M Sodium Acetate, 15% w/v PEG 6000, 0.5M CaCl2, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K