2XLU

Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: complex with thioNADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 61
Unit cell lengths	220.679, 220.679, 130.531
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.150 - 2.600
R-factor	0.21204
Rwork	0.210
R-free	0.25188
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vq7
RMSD bond length	0.020
RMSD bond angle	2.009
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]	42.000	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.120	0.410
Number of reflections	110842
<I/σ(I)>	9.7	3.7
Completeness [%]	99.9	100
Redundancy	5	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	277	CRYSTALS WERE OBTAINED USING MICROBATCH TECHNIQUE UNDER 100% PARAFFIN OIL AT 4 C BY MIXING EQUAL VOLUMES OF 8 MG PROTEIN/ML IN 25 MM TRIS/HCL PH 8.0, 250 MM NACL, 1 MM NADP (OR ANALOGUE), AND 20% (W/V) PEG4000 IN 100 MM NA/HEPES PH 7.5