1PQU

Crystal Structure of the H277N Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae Bound with NADP, S-methyl cysteine sulfoxide and cacodylate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	90
Detector technology	CCD
Collection date	2002-07-18
Detector	SBC-3
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	72.929, 76.579, 134.097
Unit cell angles	90.00, 92.59, 90.00

Refinement procedure

Resolution	44.650 - 1.920
R-factor	0.184
Rwork	0.182
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nwc
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.990
High resolution limit [Å]	1.920	1.920
Number of reflections	99660
<I/σ(I)>	10.7	2.5
Completeness [%]	89.0	90.7
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	24% PEG 3350, 0.2M Ammonium acetate, 100 mM cacodylate, pH 6.5, 2 mM NADP, 2 mM S-methyl cysteine sulfoxide, VAPOR DIFFUSION, HANGING DROP, temperature 298K