5E9P

Spirochaeta thermophila X module - CBM64 - wildtype

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184
Spacegroup name	P 43
Unit cell lengths	58.517, 58.517, 33.437
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.200
R-factor	0.1066
Rwork	0.106
R-free	0.12490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e9o
RMSD bond length	0.025
RMSD bond angle	2.130
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000		1.300
High resolution limit [Å]	1.200	10.000	1.200
Rmerge	0.039	0.018	0.345
Rmeas	0.042	0.020	0.375
Total number of observations	253480
Number of reflections	34847	68	6966
<I/σ(I)>	28.7	82.85	5.37
Completeness [%]	97.9	93.2	92.5
Redundancy	7.3		6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	293	1.5 M Sodium malonate