1PQH

Serine 25 to Threonine mutation of aspartate decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-24
Detector	ADSC QUANTUM 4
Wavelength(s)	0.978
Spacegroup name	P 61 2 2
Unit cell lengths	70.460, 70.460, 215.299
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.710 - 1.290
R-factor	0.1533
Rwork	0.153
R-free	0.16700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aw8
RMSD bond length	0.011
RMSD bond angle	1.450 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	1.300
High resolution limit [Å]	1.290	1.290
Rmerge	0.097 *	0.770 *
Number of reflections	81391
<I/σ(I)>	25.7	4.4
Completeness [%]	99.0	97.9
Redundancy	52.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	19 *	Sodium malonate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-9 (mg/ml)
2	1	reservoir	sodium malonate	2.4 (M)	pH4.0
3	1	reservoir		2.4 (M)