7ANT

Structure of CYP153A from Polaromonas sp.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	120
Detector technology	PIXEL
Collection date	2017-05-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 21 21 21
Unit cell lengths	72.852, 98.501, 112.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.640 - 1.520
R-factor	0.2078
Rwork	0.207
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rwl
RMSD bond length	0.011
RMSD bond angle	1.770
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.840	1.560
High resolution limit [Å]	1.520	1.520
Rmerge	0.120	1.030
Rpim	0.080	0.740
Number of reflections	125021	9158
<I/σ(I)>	6	1.2
Completeness [%]	100.0
Redundancy	6.2
CC(1/2)	0.980	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.2 M ammonium chloride, 0.1 M MES, pH 6.0 and 20 % (w/v) PEG 6K.