6CWG

Ricin catalytic subunit bound go A9 VHH antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 31
Unit cell lengths	76.654, 76.654, 134.331
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.215 - 2.600
R-factor	0.2259
Rwork	0.223
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.710
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.091	0.040	0.607
Rmeas	0.100	0.044	0.678
Rpim	0.042	0.018	0.300
Total number of observations	150691
Number of reflections	26739	1346	1318
<I/σ(I)>	9.1
Completeness [%]	100.0	99.9	99.7
Redundancy	5.6	5.7	5
CC(1/2)		0.998	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	295	200 mM Lithiuim sulfate, 100 mM CAPS pH 10.5, 2 M Ammonium sulfate