5X1S

PpkA-294 with Amppcp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2015-10-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 2 21 21
Unit cell lengths	59.318, 65.602, 78.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.773 - 1.450
R-factor	0.196
Rwork	0.195
R-free	0.21730
RMSD bond length	0.006
RMSD bond angle	0.969
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((dev_2247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.530
High resolution limit [Å]	1.450	1.450
Rmerge	0.048	0.534
Rpim	0.020	0.249
Number of reflections	54734	7643
<I/σ(I)>	19.9	3
Completeness [%]	99.3	96.5
Redundancy	7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	PEG3350