5B74

Crystal structure of conjoined Pyrococcus furiosus L-asparaginase with peptide

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	2016-05-07
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	92.010, 92.010, 187.081
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.109 - 2.039
R-factor	0.2142
Rwork	0.213
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ra9
RMSD bond length	0.007
RMSD bond angle	1.041
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.110	2.140
High resolution limit [Å]	2.030	2.030
Rmerge	0.110	0.640
Number of reflections	29314
<I/σ(I)>	13.2	3.4
Completeness [%]	94.5	82
Redundancy	13.5	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2 M Sodium citrate tribasic dihydrate, 0.1 M Sodium cacodylate 6, 30%(v/v) 2-Propanol