5B5U

Crystal structure of truncated 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	2016-05-04
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	91.310, 91.310, 186.971
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.374 - 2.610
R-factor	0.2048
Rwork	0.203
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ra9
RMSD bond length	0.009
RMSD bond angle	1.168
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]	72.830	2.750
High resolution limit [Å]	2.610	2.610
Rmerge	0.102	0.450
Number of reflections	13346
<I/σ(I)>	15.9	5.7
Completeness [%]	90.9	88.8
Redundancy	12.7	13.3

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