7T0J

Crystal structure of S25-2 Fab Unliganded 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	73.733, 135.329, 92.667
Unit cell angles	90.00, 94.35, 90.00

Refinement procedure

Resolution	40.000 - 2.150
R-factor	0.2325
Rwork	0.230
R-free	0.28140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q9k
RMSD bond length	0.011
RMSD bond angle	1.523
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.083	0.037	0.634
Rmeas	0.096	0.043	0.733
Rpim	0.048	0.021	0.364
Total number of observations	408414
Number of reflections	98548	5025	4911
<I/σ(I)>	9.7
Completeness [%]	99.8	99.7	100
Redundancy	4.1	4	4.1
CC(1/2)		0.998	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M Ammonium fluoride, 20% PEG 3350, 5 mM 4-O-methoxymethyl-KdoOMe