6KZJ

Crystal structure of Ankyrin B/NdeL1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	40.446, 44.690, 77.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.500
R-factor	0.1628
Rwork	0.161
R-free	0.21080
Structure solution method	AB INITIO PHASING
RMSD bond length	0.012
RMSD bond angle	1.633
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	Arcimboldo
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.059	0.042	0.435
Rmeas	0.062	0.044	0.456
Rpim	0.019	0.014	0.136
Total number of observations	238129
Number of reflections	22182	1293	1135
<I/σ(I)>	5.7
Completeness [%]	95.0	99.8	99.9
Redundancy	10.7	10.1	11
CC(1/2)		0.998	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	289	1.9M ammonium sulfate, 0.16M potassium sodium tartrate tetrahydrate, 0.1M sodium citrate tribasic dehydrate pH 5.6