1VKM

Crystal structure of an indigoidine synthase a (idga)-like protein (tm1464) from thermotoga maritima msb8 at 1.90 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-12
Detector	ADSC
Spacegroup name	P 21 21 21
Unit cell lengths	91.958, 130.799, 138.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.230 - 1.900
R-factor	0.15618
Rwork	0.154
R-free	0.19959
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.514
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.230	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.063	0.533
Number of reflections	130700
<I/σ(I)>	13.7	1.9
Completeness [%]	99.1	93.3
Redundancy	4.7	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7.4	277	7% PEG 1000, 0.045M HEPES_Na, 0.055M HEPES, 0.01M MANGANESE (II) CHLORIDE, pH 7.4, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7.4	277	7% PEG 1000, 0.045M HEPES_Na, 0.055M HEPES, 0.01M MANGANESE (II) CHLORIDE, pH 7.4, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7.4	277	7% PEG 1000, 0.045M HEPES_Na, 0.055M HEPES, 0.01M MANGANESE (II) CHLORIDE, pH 7.4, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K