4YWU

Structural insight into the substrate inhibition mechanism of NADP+-dependent succinic semialdehyde dehydrogenase from Streptococcus pyogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97951
Spacegroup name	P 43 21 2
Unit cell lengths	134.965, 134.965, 172.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.680 - 2.400
R-factor	0.213
Rwork	0.213
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oht
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.165	0.488
Number of reflections	61642
<I/σ(I)>	10.9	2.5
Completeness [%]	98.2	95.4
Redundancy	7.1	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	0.1 M Sodium acetate trihydrate pH 4.6 and 2.0 M Ammonium sulfate