7ZOT

crystal structure of PLAAT4 N-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.966
Spacegroup name	C 1 2 1
Unit cell lengths	116.800, 39.540, 52.950
Unit cell angles	90.00, 94.95, 90.00

Refinement procedure

Resolution	52.752 - 1.735
Rwork	0.184
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zom
RMSD bond length	0.014
RMSD bond angle	1.508
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.752	1.765
High resolution limit [Å]	1.735	1.735
Rmerge	0.055	0.480
Rmeas	0.066	0.580
Rpim	0.036	0.322
Number of reflections	23862	1079
<I/σ(I)>	13.8	2.3
Completeness [%]	94.5
Redundancy	3.3
CC(1/2)	0.998	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Morpheus screen condition H12 0.1M Amino acids, 0.1M Tris Bicine pH 8.5 37.5% v/v MPD PEG1000 PEG 3350