9KRY

Crystal structure Of MerTK kinase domain in complex With compound 1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-05
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	50.994, 91.279, 69.227
Unit cell angles	90.00, 100.77, 90.00

Refinement procedure

Resolution	29.310 - 2.250
R-factor	0.2418
Rwork	0.240
R-free	0.28440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tcp
RMSD bond length	0.003
RMSD bond angle	0.824
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	10.000	2.330
High resolution limit [Å]	2.250	4.840	2.250
Rmerge		0.053	0.592
Rmeas		0.060	0.669
Rpim		0.027	0.307
Number of reflections	29225	3019	2734
<I/σ(I)>	7.7
Completeness [%]	98.5	99.7	91.8
Redundancy	5.2	5.2	4.3
CC(1/2)	0.997	0.997	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	291	36% PEG 200, 0.05 M Calcium chloride dehydrate, 0.1 M MES monohydrate pH 7.1