7KPA

asymmetric hTNF-alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	55.130, 82.130, 93.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.030 - 2.300
R-factor	0.221
Rwork	0.216
R-free	0.26220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished structure
RMSD bond length	0.009
RMSD bond angle	1.075
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.117	0.045	0.674
Number of reflections	18973	215	1375
<I/σ(I)>	11.77	34	2.6
Completeness [%]	98.0	83	99.6
Redundancy	5.53

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	24.4% PEG 3350, 100 mM HEPES, pH7.0