6IRC

C-terminal domain of Drosophila phospholipase b NORPA, methylated

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 61 2 2
Unit cell lengths	119.209, 119.209, 116.059
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.957 - 3.538
R-factor	0.2467
Rwork	0.244
R-free	0.29550
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.560
High resolution limit [Å]	3.500	9.480	3.500
Rmerge	0.127	0.051	0.612
Rmeas	0.133	0.054	0.648
Rpim	0.040	0.017	0.203
Total number of observations	68157
Number of reflections	5961	331	300
<I/σ(I)>	8.2
Completeness [%]	94.4	87.1	94.9
Redundancy	11.4	9.2	11.4
CC(1/2)		0.998	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		289	3.8M Sodium Formate, 100mM Bis-tris Propane