5YQ8

Crystal structure of retroviral protease-like domain of Ddi1 from Leishmania major

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-03-09
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	35.530, 80.390, 85.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.720 - 2.250
R-factor	0.16788
Rwork	0.164
R-free	0.23981
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i1a
RMSD bond length	0.018
RMSD bond angle	1.855
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.550	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.136	0.340
Rpim	0.136	0.339
Number of reflections	22170	2068
<I/σ(I)>	5.9	2.7
Completeness [%]	96.8	98.7
Redundancy	2.6	2.4
CC(1/2)	0.971	0.324

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.5	293	0.1 M sodium acetate trihydrate, 30 % polyethylene glycol 1500