2YLX

SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Asp66Ala MUTANT IN COMPLEX WITH NADP AND MES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 32 2 1
Unit cell lengths	107.500, 107.500, 107.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.830 - 2.200
R-factor	0.19544
Rwork	0.193
R-free	0.25169
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ylr
RMSD bond length	0.021
RMSD bond angle	1.853
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.080	0.450
Number of reflections	36752
<I/σ(I)>	11.8	3.1
Completeness [%]	100.0	100
Redundancy	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		SEE PDB ENTRY 2YLR, pH 6.5