2XJL

Monomeric Human Cu,Zn Superoxide dismutase without Cu ligands

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-5
Synchrotron site	MAX II
Beamline	I911-5
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-19
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	34.760, 49.220, 80.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.550
R-factor	0.15688
Rwork	0.156
R-free	0.18300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MONOMERIC CU ZN SOD1
RMSD bond length	0.010
RMSD bond angle	1.258
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.080	0.620
Number of reflections	20574
<I/σ(I)>	17.6	3.3
Completeness [%]	99.4	98.6
Redundancy	8.3	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5		25% PEG 6000, 0.1M SODIUM ACETATE (PH 5.0), 0.01M ZNCL2