9IM7

Crystal structure of mouse Plk1-PBD in complex with R12-4j compound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	193
Detector technology	CCD
Collection date	2020-05-10
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	35.672, 51.454, 57.414
Unit cell angles	90.00, 100.90, 90.00

Refinement procedure

Resolution	38.010 - 1.930
R-factor	0.1845
Rwork	0.179
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.330
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.930	4.200	1.950
Rmerge	0.098	0.072	0.366
Rmeas	0.107	0.079	0.425
Rpim	0.044	0.031	0.209
Number of reflections	14849	1539	1439
<I/σ(I)>	8.2
Completeness [%]	97.6	97.9	95
Redundancy	4.9	6.1	3.4
CC(1/2)	0.987	0.995	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	298	0.1M Sodium malonate pH 5.4, 22% PEG3350