1DIQ

CRYSTAL STRUCTURE OF P-CRESOL METHYLHYDROXYLASE WITH SUBSTRATE BOUND

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1990-03-17
Detector	SDMS
Spacegroup name	P 21 21 21
Unit cell lengths	139.100, 130.500, 74.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.750
Rwork	0.133
R-free	0.18300
RMSD bond length	0.015
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]	25.000	2.950
High resolution limit [Å]	2.750	2.750
Rmerge	0.041	0.106
Number of reflections	28932
<I/σ(I)>	16.5
Completeness [%]	80.5	65.5
Redundancy	5.5	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)