5MCC

Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 1.11 MGy

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	2016-02-29
Detector	PSI PILATUS 6M
Wavelength(s)	0.980
Spacegroup name	C 1 2 1
Unit cell lengths	126.972, 46.640, 172.794
Unit cell angles	90.00, 108.28, 90.00

Refinement procedure

Resolution	164.070 - 2.000
R-factor	0.1523
Rwork	0.151
R-free	0.17280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4XNN
RMSD bond length	0.007
RMSD bond angle	1.258
Data reduction software	DIALS
Data scaling software	Aimless (0.5.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	164.070	164.070	2.050
High resolution limit [Å]	2.000	9.170	2.000
Rmerge	0.057	0.032	0.239
Number of reflections	65500
<I/σ(I)>	12.2
Completeness [%]	99.8	99.9	99.9
Redundancy	3.3	3	3.4
CC(1/2)	0.997	0.993	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	289	900mM ammonium sulphate, 100mM monosodium citrate