1B2V

HEME-BINDING PROTEIN A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	1998-05-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	41.650, 80.660, 63.230
Unit cell angles	90.00, 93.58, 90.00

Refinement procedure

Resolution	15.000 - 1.900
R-factor	0.177
Rwork	0.175
R-free	0.21800
Structure solution method	MIRAS
RMSD bond length	0.014
RMSD bond angle	2.370
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.079 *	0.290 *
Total number of observations	61510 *
Number of reflections	15800 *
<I/σ(I)>	13.9	2.5
Completeness [%]	95.2	94.2
Redundancy	2.5	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	2	0.2M CACL
2	1	2	0.1M NA ACETATE PH 4.6
3	1	2	20% ISOPRPANOL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.7 (mg/ml)
2	1	drop		100 (mM)
3	1	drop	Tris-HCl	100 (mM)
4	1	reservoir	calcium chloride	0.2 (M)
5	1	reservoir	sodium acetate	0.1 (M)
6	1	reservoir	isopropanol	20 (%)