5W56

Structure of Apo AztC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00001
Spacegroup name	P 1 21 1
Unit cell lengths	61.469, 106.261, 61.672
Unit cell angles	90.00, 110.98, 90.00

Refinement procedure

Resolution	45.830 - 2.030
R-factor	0.16681
Rwork	0.165
R-free	0.20085
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4XRV
RMSD bond length	0.019
RMSD bond angle	1.899
Data reduction software	XDS
Data scaling software	Aimless (v0.5.32)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.830	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.027	0.560
Rpim	0.016	0.340
Number of reflections	47607	3532
<I/σ(I)>	20.3	2.4
Completeness [%]	99.6	99.7
Redundancy	3.7	3.6
CC(1/2)	0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7	292	Sodium formate 4.0-4.5 M, Bis-tris propane 0.1 M