2CU2

Crystal structure of mannose-1-phosphate geranyltransferase from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-10-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.00000
Spacegroup name	I 2 2 2
Unit cell lengths	84.128, 91.185, 118.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.980 - 2.200
R-factor	0.219
Rwork	0.219
R-free	0.25300
Structure solution method	SAD
RMSD bond length	1.700
RMSD bond angle	0.013
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.070	0.620
Number of reflections	23487
<I/σ(I)>	10.1	3.8
Completeness [%]	99.9	100
Redundancy	8	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	295	lithium sulphate, pH 8.5, microbatch , temperature 295K
1	MICROBATCH	8.5	295	lithium sulphate, pH 8.5, microbatch , temperature 295K