2XLP

Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: Asn78Ser mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 61
Unit cell lengths	219.708, 219.708, 131.441
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.120 - 2.800
R-factor	0.19407
Rwork	0.193
R-free	0.21376
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vq7
RMSD bond length	0.016
RMSD bond angle	1.658
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.4.0078)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.120	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.120	0.480
Number of reflections	88448
<I/σ(I)>	10.5	5
Completeness [%]	100.0	100
Redundancy	5	5

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