1XI6

Extragenic suppressor from Pyrococcus furiosus Pfu-1862794-001

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-13
Detector	MAR CCD 165 mm
Wavelength(s)	0.9700
Spacegroup name	I 41 2 2
Unit cell lengths	81.613, 81.613, 293.871
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.860 - 2.800
R-factor	0.27224
Rwork	0.271
R-free	0.29828
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dk4
RMSD bond length	0.011
RMSD bond angle	1.334
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.136	0.093	0.254
Total number of observations		2180	640
Number of reflections	16734
Completeness [%]	83.4	99.5	33.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	modified microbatch	6.2	291	0.3-0.9M ammonium dihydrogen phosphate, 30%v/v glycerol, 0.07M MES, pH 6.2, modified microbatch, temperature 291K
1	modified microbatch	6.2	291	0.3-0.9M ammonium dihydrogen phosphate, 30%v/v glycerol, 0.07M MES, pH 6.2, modified microbatch, temperature 291K
1	modified microbatch	6.2	291	0.3-0.9M ammonium dihydrogen phosphate, 30%v/v glycerol, 0.07M MES, pH 6.2, modified microbatch, temperature 291K