2GZ1

Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae complexed with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-11-01
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	59.709, 99.165, 64.525
Unit cell angles	90.00, 100.83, 90.00

Refinement procedure

Resolution	39.530 - 1.800
R-factor	0.162
Rwork	0.160
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 2GYY
RMSD bond length	0.009
RMSD bond angle	1.262
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	d*TREK (9.2SSI)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.530	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.054	0.314
Total number of observations		24089
Number of reflections	68226
<I/σ(I)>	11.4	3.5
Completeness [%]	99.9	100
Redundancy	3.64	3.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	50 mM Citrate pH 6.0 200 mM ammonium acetate 20% PEG 8000 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K