6ZUB

Cu nitrite reductase from Achromobacter cycloclastes: MSOX series at 170K, dose point 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-07-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.7
Spacegroup name	P 21 3
Unit cell lengths	95.356, 95.356, 95.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.680 - 1.080
R-factor	0.1256
Rwork	0.124
R-free	0.14990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bw4
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.427	42.645	1.140
High resolution limit [Å]	1.080	3.420	1.080
Rmerge		0.028	0.610
Rmeas	0.085	0.031	0.713
Rpim	0.038	0.013	0.363
Total number of observations	588965	20275	61009
Number of reflections	122039	3840	17347
<I/σ(I)>	8.5	34	1.7
Completeness [%]	99.2	95	97.2
Redundancy	4.8	5.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.6M AMMONIUM SULPHATE, 100MM REMARK 280 SODIUM ACETATE, PH 4.75