2PTR

Crystal structure of Escherichia coli adenylosuccinate lyase mutant H171A with bound adenylosuccinate substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-02-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	98.400, 143.190, 69.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 1.850
Rwork	0.183
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2007-May-08.deposit.rcsb.org.80.Session.24495
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	1.930
High resolution limit [Å]	1.850	1.850
Number of reflections	84140
<I/σ(I)>	19.5	5.6
Completeness [%]	99.7	97.1
Redundancy	9.29	6.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	Tris-HCl, sodium acetate tri-hydrate, PEG-4000, glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K