6X07

Nic96 from S. cerevisiae bound by VHH-SAN12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-13
Detector	PSI PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	48.126, 79.653, 283.515
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.910 - 2.100
R-factor	0.2277
Rwork	0.227
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qx5
RMSD bond length	0.011
RMSD bond angle	1.101
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.180
High resolution limit [Å]	2.100	2.100
Rpim	0.038	0.677
Number of reflections	64457	6339
<I/σ(I)>	23.9	1.4
Completeness [%]	99.6
Redundancy	7.2	6.9
CC(1/2)	0.998	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	8% PEG 8,000 and 0.1M tri-sodium citrate pH 5