6ZYL

non-heme monooxygenase; ThoJ apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 41 21 2
Unit cell lengths	80.517, 80.517, 130.144
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.850 - 2.090
R-factor	0.1782
Rwork	0.177
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ncj
RMSD bond length	0.004
RMSD bond angle	0.663
Data reduction software	xia2
Data scaling software	SCALA
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.850	2.150
High resolution limit [Å]	2.090	2.090
Number of reflections	26006	1981
<I/σ(I)>	9.8
Completeness [%]	99.7
Redundancy	5.7
CC(1/2)	0.996	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	150 mM Sodium tartrate, 28% (w/v) PEG 3350, 10% (v/v) 2.0 M NDSB-221