6C5J

S25-23 Fab in complex with Chlamydiaceae LPS (Crystal form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	116.233, 45.453, 75.671
Unit cell angles	90.00, 105.31, 90.00

Refinement procedure

Resolution	25.000 - 2.290
R-factor	0.1955
Rwork	0.193
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m7j
RMSD bond length	0.009
RMSD bond angle	1.447
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.370
High resolution limit [Å]	2.290	4.920	2.290
Rmerge	0.069	0.051	0.519
Number of reflections	16502	1546	1700
<I/σ(I)>	12.9
Completeness [%]	93.8	84.5	96.7
Redundancy	3.4	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289.15	0.1 M MES, 20% [w/v] polyethylene glycol [PEG] 10000