6ZUV

Notum fragment 286

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9282
Spacegroup name	P 21 21 21
Unit cell lengths	60.673, 72.284, 79.001
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.330 - 1.540
R-factor	0.2122
Rwork	0.210
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tr5
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.100	1.570
High resolution limit [Å]	1.540	1.540
Number of reflections	52038	2476
<I/σ(I)>	10
Completeness [%]	100.0
Redundancy	6.3
CC(1/2)	0.990	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.2	293	1.5 M Ammonium Sulphate 0.1 M Sodium Citrate, pH4.2