9KS5

The crystal structure of ABL1 in complex with K-CNBA-1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CAMD BEAMLINE GCPCC
Synchrotron site	CAMD
Beamline	GCPCC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-15
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.978
Spacegroup name	P 21 21 2
Unit cell lengths	106.480, 134.990, 58.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.170 - 2.200
R-factor	0.171712121203
Rwork	0.170
R-free	0.21156
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.880
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.200	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.140
Rmeas	0.156
Rpim	0.048
Number of reflections	43305	3714
<I/σ(I)>	15
Completeness [%]	100.0
Redundancy	9.8
CC(1/2)	0.998	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298.15	0.1 M Sodium citrate, 2% Tacinate (pH 5.0) and 16% w/v PEG 3350