4NJE

Crystal structure of Pyrococcus furiosus L-asparaginase with ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 65 2 2
Unit cell lengths	91.590, 91.590, 188.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.724 - 2.500
R-factor	0.2305
Rwork	0.228
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4LX7
RMSD bond length	0.009
RMSD bond angle	1.234
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.724	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.133	0.711
Number of reflections	16068
<I/σ(I)>	13.5	3.9
Completeness [%]	94.8	99.7
Redundancy	13.4	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	200mM Sodium citrate tribasic dihydrate, 100mM Sodium cacodylate, 30%(v/v) 2-Propanol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K