1PQE

S25A mutant of pyruvoyl dependent aspartate decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-09-07
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 4 2 2
Unit cell lengths	73.056, 73.056, 111.114
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.500 - 1.950
R-factor	0.16032
Rwork	0.158
R-free	0.20400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aw8
RMSD bond length	0.017 *
RMSD bond angle	1.560 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.040 *	0.328 *
Number of reflections	11321
<I/σ(I)>	36.6	4.2
Completeness [%]	95.2	92.7
Redundancy	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4 *	19 *	NH42SO4,Tris/HCL, pH 8.0, 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	ammonium sulfate	1.5 (M)
3	1	reservoir	Tris-HCl	0.15 (M)	pH8.0