4MQL

Crystal structure of Antigen 85C-C209S mutant

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	2011-10-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	135.764, 68.171, 35.908
Unit cell angles	90.00, 94.03, 90.00

Refinement procedure

Resolution	34.086 - 1.300
R-factor	0.154
Rwork	0.153
R-free	0.16460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.140
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8_1069)
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.300
Rmerge	0.051
Number of reflections	79869
<I/σ(I)>	51.408
Completeness [%]	99.6
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M bis-tris 6.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K