6KBU

Crystal structure of yedK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	46.740, 67.327, 74.875
Unit cell angles	90.00, 98.84, 90.00

Refinement procedure

Resolution	38.085 - 2.100
R-factor	0.1703
Rwork	0.167
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2icu
RMSD bond length	0.007
RMSD bond angle	0.853
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.158	0.095	0.462
Rmeas	0.174	0.103	0.524
Rpim	0.072	0.041	0.239
Total number of observations	136928
Number of reflections	26234	2756	2345
<I/σ(I)>	3.9
Completeness [%]	97.4	99.3	88.7
Redundancy	5.2	6	4.1
CC(1/2)		0.995	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.2 M DL-malic acid pH7.0, 20% PEG3350