1JD9

CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT K300Q OF PSEUDOALTEROMONAS HALOPLANCTIS ALPHA-AMYLASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	1997-12-29
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	71.500, 138.400, 115.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.700 - 2.500
Rwork	0.180
R-free	0.24500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1aqh
RMSD bond length	0.007
RMSD bond angle	1.267
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.030	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.216	0.564
Number of reflections	16759
<I/σ(I)>	3
Completeness [%]	81.8	39.2
Redundancy	3.4	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	MPD, Hepes, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 292K