1M33

Crystal Structure of BioH at 1.7 A

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-15
Detector	CUSTOM-MADE
Wavelength(s)	0.979464, 0.953732, 1.03321
Spacegroup name	P 43
Unit cell lengths	75.210, 75.210, 49.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.000 * - 1.700
R-factor	0.14735
Rwork	0.145
R-free	0.18900 *
Structure solution method	MAD
RMSD bond length	0.022
RMSD bond angle	1.905 *
Data reduction software	HKL-2000
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	REFMAC (5.1.05)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.690
High resolution limit [Å]	1.630	1.630
Rmerge	0.075 *	0.595 *
Total number of observations	114995 *
Number of reflections	33538	3061 *
<I/σ(I)>	16.5	1.2
Completeness [%]	96.8	82.5
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	21 *	1.3M tri Na Citrate, 0.1M Tris, 15% ethylene glycol, pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate trihydrate	1.2 (M)
2	1	reservoir	Tris-HCl	0.1 (M)	pH8.0