1Q7S

Crystal structure of bit1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-02-28
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	61.861, 61.861, 178.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.000 * - 2.000
R-factor	0.211
Rwork	0.211
R-free	0.23700 *
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.066 *	0.457 *
Total number of observations	168771 *
Number of reflections	24275
<I/σ(I)>	27.7	4.7
Completeness [%]	99.7	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5	298	Hepes, PEG-10000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	HEPES	100 (mM)	pH7.5
3	1	reservoir	PEG10000	20 (%(w/v))