7RCK

Crystal Structure of PMS2 with Substrate

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	2021-03-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	74.684, 75.385, 135.313
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.710 - 2.040
R-factor	0.2152
Rwork	0.213
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h7s
RMSD bond length	0.002
RMSD bond angle	0.464
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX (V1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.710	2.113
High resolution limit [Å]	2.040	2.040
Rmerge	0.069	0.548
Rmeas	0.076	0.604
Rpim	0.030	0.250
Number of reflections	49151	4825
<I/σ(I)>	12.59	1.66
Completeness [%]	99.5	99.32
Redundancy	6.2	5.6
CC(1/2)	0.998	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	289.15	1:1 7.5 mg/mL protein with 8% v/v Tacsimate, pH 5.8, 25% w/v PEG3350