1EOI

CRYSTAL STRUCTURE OF ACID PHOSPHATASE FROM ESCHERICHIA BLATTAE COMPLEXED WITH THE TRANSITION STATE ANALOG MOLYBDATE

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]	293
Detector technology	IMAGE PLATE
Collection date	1998-12-03
Detector	FUJI
Spacegroup name	P 31 2 1
Unit cell lengths	86.600, 86.600, 205.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.400
R-factor	0.218
Rwork	0.212
R-free	0.28000
RMSD bond length	0.012
RMSD bond angle	1.585
Data reduction software	WEIS
Data scaling software	WEIS
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.085	0.280
Number of reflections	32057
<I/σ(I)>	5.3
Completeness [%]	89.7	61.6
Redundancy	5.1	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	20 *	drop contains protein and reservoir solution in a 1:1 ratio *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	20 (mM)
3	1	reservoir	PEG400	43-45 (%)
4	1	reservoir	Tris-HCl	0.1 (M)