1DII

CRYSTAL STRUCTURE OF P-CRESOL METHYLHYDROXYLASE AT 2.5 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1990-05-31
Detector	SDMS
Spacegroup name	P 21 21 21
Unit cell lengths	140.300, 130.600, 74.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.172
Rwork	0.172
R-free	0.23000
RMSD bond length	0.014
RMSD bond angle	23.800 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	X-PLOR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.500	2.500
Rmerge	0.074	0.224
Number of reflections	42484
<I/σ(I)>	8.3
Completeness [%]	89.5	87
Redundancy	3	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	298	or interface diffusion *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	8 (%)
3	1	reservoir	phosphate	50 (mM)
4	1	reservoir		0.1 (M)