6DEZ

Anti-phosphotyrosine antibody PY20-4D5 Fab complexed with sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	P 21 2 21
Unit cell lengths	82.480, 94.930, 170.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.999 - 3.200
R-factor	0.2309
Rwork	0.228
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj1
RMSD bond length	0.011
RMSD bond angle	1.243
Data reduction software	iMOSFLM
Data scaling software	SCALA (0.5.21)
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.300	3.360
High resolution limit [Å]	3.200	3.200
Rmerge	0.045	1.454
Rmeas	0.373	6.731
Rpim	0.143	2.758
Total number of observations	397240
Number of reflections	20773	4345
<I/σ(I)>	4.8
Completeness [%]	99.9	99.4
Redundancy	17.9	5.7
CC(1/2)	0.993	0.105

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	20% PEG4000 and 0.336M ammonium sulfate