1AK1

FERROCHELATASE FROM BACILLUS SUBTILIS

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1995-10-22
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	49.390, 50.190, 120.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.900
R-factor	0.195
Rwork	0.195
R-free	0.24300
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	23.250 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.063 *	0.364 *
Total number of observations	226242 *
Number of reflections	24332
Completeness [%]	92.4	80.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5		CRYSTALS GROW IN 30% PEG 2000, 0.2 M MGCL2 0.1 M TRIS-HCL, PH 8.5. THESE WERE VORTEXED AND USED AS SEEDS FOR LARGE SINGLE CRYSTALS IN: 27% PEG 2000, 0.2 M MGCL2, 0.05% NAN3, 0.1 M TRIS-HCL, PH 8.5, seeded

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.65 (mg/ml)
2	1	drop	PEG2000	2.5 (%)
3	1	drop		17 (mM)
4	1	drop	Tris-HCl	8 (mM)
5	1	reservoir	PEG2000	30 (%(w/v))
6	1	reservoir		0.2 (M)
7	1	reservoir	Tris-HCl	0.1 (M)