9EEX

STEP (PTPN5) at high resolution with citrate bound in active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-18
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	40.105, 64.154, 136.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.030 - 1.270
R-factor	0.1318
Rwork	0.131
R-free	0.15330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.964
Data reduction software	xia2 (3.7.1)
Data scaling software	DIALS (3.7.1-gfb34cbf01-release)
Phasing software	PHASER (2.8.2 (svn 8393))
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.030	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.157	4.132
Rmeas	0.163	4.313
Rpim	0.046	1.217
Number of reflections	93644	4593
<I/σ(I)>	9.2	1.1
Completeness [%]	99.9	99
Redundancy	12.5	12.2
CC(1/2)	0.998	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1