6B2X

Apo YiuA Crystal Form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.2828
Spacegroup name	P 21 21 21
Unit cell lengths	40.515, 94.732, 171.564
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.465 - 2.199
R-factor	0.199
Rwork	0.196
R-free	0.24570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mo9
RMSD bond length	0.008
RMSD bond angle	0.992
Data reduction software	HKL-2000 (v715)
Data scaling software	HKL-2000 (v715)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.199	2.199
Rmerge	0.057	0.248
Rpim	0.036	0.162
Number of reflections	34143	1605
<I/σ(I)>	15.3
Completeness [%]	98.6	93.9
Redundancy	3.2	3
CC(1/2)	0.994	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	20% PEG 3350, 10 mM MES pH 5.5