2PZA

NAD+ Synthetase from Bacillus anthracis with AMP + PPi and Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2006-05-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	107.046, 96.375, 68.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.770 - 2.400
R-factor	0.216
Rwork	0.216
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pz8
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.770	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	28233
<I/σ(I)>	19.6	3.48
Completeness [%]	99.1	99.3
Redundancy	2.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	10% PEG 8000, 0.505 M ammonium sulfate, 6% glycerol, 100 mM MgCl2, 0.05% n-octyl-BETA-D-glucopyranoside, 100 mM HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K