5D2Y

Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 7 Round 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-05-06
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	97.877, 97.877, 156.823
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.639 - 1.984
R-factor	0.2046
Rwork	0.203
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rkx
RMSD bond length	0.008
RMSD bond angle	1.042
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]	19.640
High resolution limit [Å]	1.984
Rmerge	0.115
Number of reflections	31217
<I/σ(I)>	24.47
Completeness [%]	99.5
Redundancy	20.3

Crystallization Conditions

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