1JFL

CRYSTAL STRUCTURE DETERMINATION OF ASPARTATE RACEMASE FROM AN ARCHAEA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-18
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	65.481, 58.685, 67.035
Unit cell angles	90.00, 109.62, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.194 *
Rwork	0.194
R-free	0.22200
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	1.250 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.065	0.176
Total number of observations	191528 *
Number of reflections	37256
<I/σ(I)>	8.9	4.6
Completeness [%]	98.2	99.2 *
Redundancy	5.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293 *	Liu, L., (2001) Acta Crystallogr., D57, 1674. *
1	VAPOR DIFFUSION, SITTING DROP	4	293 *	Liu, L., (2001) Acta Crystallogr., D57, 1674. *
1	VAPOR DIFFUSION, SITTING DROP	4	293 *	Liu, L., (2001) Acta Crystallogr., D57, 1674. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	16.5 (%(w/v))
2	1	reservoir	sodium citrate	0.10 (M)	pH4.0
3	1	drop	protein	30 (mg/ml)