1IU4

Crystal Structure Analysis of the Microbial Transglutaminase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-12-02
Detector	FUJI
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	78.410, 117.120, 85.740
Unit cell angles	90.00, 112.80, 90.00

Refinement procedure

Resolution	40.000 - 2.400
R-factor	0.2026
Rwork	0.199
R-free	0.26600 *
Structure solution method	MIR
RMSD bond length	0.020
RMSD bond angle	3.655
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.040	0.130
Total number of observations	187008 *
Number of reflections	55351
<I/σ(I)>	12
Completeness [%]	1.0	92.1 *
Redundancy	3.38

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	20 *	PEG1000, calcium chloride, cacodylate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG1000	25 (%(w/v))
2	1	reservoir	cacodylate-HCl	100 (mM)	pH5.0
3	1	reservoir		25 (mM)
4	1	drop	protein	15 (mg/ml)