1V70

Crystal Structure of probable antibiotics synthesis protein 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	2003-10-21
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0, 0.97954
Spacegroup name	P 31 2 1
Unit cell lengths	74.527, 74.527, 40.985
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.570 - 1.300
R-factor	0.204
Rwork	0.203
R-free	0.20400
Structure solution method	SAD with data collection on Se-Met crystal at 0.97954 A
RMSD bond length	0.008
RMSD bond angle	1.500
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]	30.000	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.062	0.632
Number of reflections	32494
<I/σ(I)>	14	3.62
Completeness [%]	100.0	100
Redundancy	7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.1	291	sodium citrate, HEPES, pH 7.1, MICROBATCH, temperature 291K
1	MICROBATCH	7.1	291	sodium citrate, HEPES, pH 7.1, MICROBATCH, temperature 291K
1	MICROBATCH	7.1	291	sodium citrate, HEPES, pH 7.1, MICROBATCH, temperature 291K