6K53

A variant of metagenome-derived GH6 cellobiohydrolase, HmCel6A (P88S/L230F/F414S)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	H 3 2
Unit cell lengths	141.885, 141.885, 224.099
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.049 - 1.890
R-factor	0.1615
Rwork	0.160
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6k52
RMSD bond length	0.007
RMSD bond angle	1.064
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.890	1.890
Rmerge	0.077	0.578
Rmeas	0.080	0.609
Rpim	0.025	0.190
Number of reflections	69369	6865
<I/σ(I)>	28.1	5.3
Completeness [%]	100.0	100
Redundancy	10.6	10.2
CC(1/2)	0.999	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	20% (W/V) PEG 1000, 0.2M LITHIUM SULFATE, 0.1M PHOSPHATE-CITRATE (PH 4.2)