2YWB

Crystal structure of GMP synthetase from Thermus thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-21
Detector	MAR CCD 165 mm
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	140.949, 114.854, 160.033
Unit cell angles	90.00, 93.37, 90.00

Refinement procedure

Resolution	43.280 - 2.100
R-factor	0.233
Rwork	0.233
R-free	0.27200
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.066	0.411
Number of reflections	145950
Completeness [%]	98.2	94.7
Redundancy	3.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	1.4M NaCl, 0.1M Sodium Acetate, pH4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	1.4M NaCl, 0.1M Sodium Acetate, pH4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	1.4M NaCl, 0.1M Sodium Acetate, pH4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K