1PT1

Unprocessed Pyruvoyl Dependent Aspartate Decarboxylase with Histidine 11 Mutated to Alanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-14
Detector	ADSC QUANTUM 4
Wavelength(s)	1.488
Spacegroup name	P 61 2 2
Unit cell lengths	70.952, 70.952, 217.081
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.440 - 1.900
R-factor	0.15005
Rwork	0.148
R-free	0.17200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aw8
RMSD bond length	0.013 *
RMSD bond angle	1.440 *
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]	25.000	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.087 *	0.260 *
Number of reflections	26557 *
<I/σ(I)>	31.23	9.79
Completeness [%]	100.0	100
Redundancy	33.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	19 *	1.4-1.6M Ammonium Sulphate, 0.1M Citric Acid, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-9 (mg/ml)
2	1	reservoir	ammonium sulfate	1.4-1.6 (M)
3	1	reservoir	citric acid	0.1 (M)	pH4.0