2WFU

Crystal structure of DILP5 variant DB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	39.789, 39.789, 45.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.150 - 1.850
R-factor	0.219
Rwork	0.215
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.465
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.150	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.060	0.170
Number of reflections	3070
<I/σ(I)>	89	25
Completeness [%]	99.7	100
Redundancy	14.4	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				20% PEG4000