5TO4

Phospholipase C gamma-1 C-terminal SH2 domain, spacegroup P212121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	34.030, 36.440, 88.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.114 - 1.700
R-factor	0.1855
Rwork	0.184
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k44
RMSD bond length	0.010
RMSD bond angle	1.021
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.440	36.440	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.059	0.267
Rmeas	0.092
Rpim	0.036
Total number of observations	80381
Number of reflections	12342
<I/σ(I)>	12.8	10.4	2.4
Completeness [%]	97.9	88.4	97.7
Redundancy	6.5	6	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M sodium citrate (pH 5.5), 22% PEG 1000