5BNT

X-ray Crystal Structure of a Aspartate-semialdehyde dehydrogenase bound to NADP from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-02
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	125.680, 125.680, 199.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.484 - 2.100
R-factor	0.1815
Rwork	0.181
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mb4
RMSD bond length	0.002
RMSD bond angle	0.759
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX ((dev_2050: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.125	0.026	0.572
Rmeas	0.133	0.028	0.609
Total number of observations	688175
Number of reflections	90696	1100	6644
<I/σ(I)>	15.13	49.78	3.59
Completeness [%]	96.9	88.9	97.6
Redundancy	7.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	Microlytics, MCSG1 D9: 0.2 M sodium chloride, 0.1 M TRIS:HCl pH 8.50, 25% PEG3350