7T0G

Crystal structure of S25-39 Fab Unliganded 1

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	52.610, 61.218, 63.573
Unit cell angles	90.00, 98.65, 90.00

Refinement procedure

Resolution	50.000 - 1.530
R-factor	0.1778
Rwork	0.176
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3okd
RMSD bond length	0.023
RMSD bond angle	2.179
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.560
High resolution limit [Å]	1.530	4.150	1.530
Rmerge	0.109	0.044	0.612
Rmeas	0.118	0.048	0.695
Rpim	0.044	0.018	0.323
Total number of observations	393256
Number of reflections	59940	3104	2608
<I/σ(I)>	9.3
Completeness [%]	99.3	99.4	86.4
Redundancy	6.6	6.9	4.1
CC(1/2)		0.997	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1 M BIS-TRIS pH 6.5, 20% PEG MME 2000, 5 mM 4-O-methoxymethyl-KdoOMe