3GWD

Closed crystal structure of cyclohexanone monooxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2006-04-15
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 21 21 21
Unit cell lengths	62.485, 90.989, 100.408
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.530 - 2.300
R-factor	0.18889
Rwork	0.183
R-free	0.24514
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w4x
RMSD bond length	0.013
RMSD bond angle	1.473
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.530	2.424
High resolution limit [Å]	2.300	2.300
Number of reflections	23460
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5		0.2 M sodium acetate trihydrate, 0.1 M sodium cacodylate, pH 6.5 and 30% PEG8000, VAPOR DIFFUSION