1ODO

1.85 A structure of CYP154A1 from Streptomyces coelicolor A3(2)

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	2002-10-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	47.510, 103.708, 104.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.210 - 1.850
R-factor	0.177
Rwork	0.177
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwi
RMSD bond length	0.005
RMSD bond angle	1.200 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.080	0.468 *
Number of reflections	44967
<I/σ(I)>	17.6	3
Completeness [%]	99.9	99.7
Redundancy	7.0 *	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	22 *	0.7 M SODIUM CITRATE 0.1 M HEPES, PH=7.5, 0 5 MM 4-PHENYLIMIDAZOLE, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.3 (mM)
2	1	drop	Tris-HCl	10 (mM)	pH7.5
3	1	drop		200 (mM)
4	1	drop	EDTA	0.5 (mM)
5	1	reservoir	sodium citrate	0.7 (M)
6	1	reservoir	HEPES	100 (mM)	pH7.5
7	1	reservoir	4-phenylimidazole	5 (mM)