4R5M

Crystal structure of Vc-Aspartate beta-semialdehyde-dehydrogenase with NADP and 4-Nitro-2-Phosphono-Benzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 43 21 2
Unit cell lengths	107.353, 107.353, 152.837
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.850 - 1.890
R-factor	0.17058
Rwork	0.169
R-free	0.19696
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3q0e
RMSD bond length	0.007
RMSD bond angle	1.250
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.950
High resolution limit [Å]	1.880	4.050	1.880
Number of reflections	71382
<I/σ(I)>	10.6	13.6	3.5
Completeness [%]	97.7	96.2	86.6
Redundancy	4.9	4.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	15-20% PEG 3350, 0.1 M Na-citrate (pH 6.5), 0.1 M Na-acetate, 10 mM DTT, 3% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 295K