1SIU

KUMAMOLISIN-AS E78H MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-04-16
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	42.160, 45.040, 49.430
Unit cell angles	114.82, 106.36, 102.03

Refinement procedure

Resolution	10.000 - 2.310
R-factor	0.1591
R-free	0.28660
Structure solution method	DIRECT REFINEMENT
Starting model (for MR)	WILD-TYPE KUMAMOLISIN-AS APOENZYME
RMSD bond length	0.008
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.390
High resolution limit [Å]	2.310	2.310
Number of reflections	12280
<I/σ(I)>	17	6.1
Completeness [%]	94.9	80.6
Redundancy	1.9	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	PEG 8000, Ammonium Sulfate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K