5D2X

Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 6 Round5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-18
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 61 2 2
Unit cell lengths	97.263, 97.263, 156.282
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.116 - 1.760
R-factor	0.1945
Rwork	0.193
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rkx
RMSD bond length	0.008
RMSD bond angle	1.056
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	42.120
High resolution limit [Å]	1.760
Rmerge	0.134
Number of reflections	43891
<I/σ(I)>	20.64
Completeness [%]	99.9
Redundancy	20.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	25mM HEPES, pH 7.25, 0.1M NaCl