7TC3

Human APE1 in the apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9774
Spacegroup name	P 21 21 2
Unit cell lengths	46.651, 141.442, 45.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.942 - 1.252
R-factor	0.1524
Rwork	0.151
R-free	0.17790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lnd
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_3409)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.942	38.940	1.270
High resolution limit [Å]	1.250	6.860	1.250
Rmerge	0.044	0.024	1.484
Rmeas	0.046	0.025	1.935
Rpim	0.013	0.007	1.222
Total number of observations		6923	5335
Number of reflections	82613	615	3191
<I/σ(I)>	22.6	75.4	0.5
Completeness [%]	98.9	99.6	78.9
Redundancy	10.8	11.3	1.7
CC(1/2)	1.000	1.000	0.166

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	PEG3350, Sodium Formate