1J3Q

Crystal structure of Thermococcus litoralis phosphogrucose isomerase soaked with FeSO4

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	2002-11-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	40.520, 81.070, 126.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.270 - 1.850
R-factor	0.238
Rwork	0.238
R-free	0.27800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1j3p
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.500	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.041	0.296
Number of reflections	35186
<I/σ(I)>	10.6	2.6
Completeness [%]	96.4	89.8
Redundancy	3.64	3.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	278	PEG 8000, potassium phosphate, ferrous sulfate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K