3ZQY

CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16A VARIANT AT 1.03 A RESOLUTION- NON-RESTRAINT REFINEMENT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2009-06-04
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 65 2 2
Unit cell lengths	53.136, 53.136, 181.267
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yl0
RMSD bond length	0.024
RMSD bond angle	2.516
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.000	1.090
High resolution limit [Å]	1.030	1.030
Rmerge	0.070	0.710
Number of reflections	75580
<I/σ(I)>	12.7	2.5
Completeness [%]	100.0	99.9
Redundancy	7.8	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		AMMONIUM SULPHATE, PH 7.5.