1NM9

Crystal structure of recombinant human salivary amylase mutant W58A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-09-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	51.946, 74.060, 134.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.600 * - 2.100
R-factor	0.1617
Rwork	0.160
R-free	0.19300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jxj
RMSD bond length	0.009
RMSD bond angle	1.100 *
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]	42.600	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.069	0.231 *
Total number of observations	188351 *
Number of reflections	31104
<I/σ(I)>	19.1
Completeness [%]	99.7	99.7
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	323	MPD, Calcium chloride, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 323K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH9.0
3	1	drop		5 (mM)
4	1	reservoir	MPD	40 (%)