5ZCT

The crystal structure of the poly-alpha-L-glutamate peptides synthetase RimK at 2.05 angstrom resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98000
Spacegroup name	C 1 2 1
Unit cell lengths	212.618, 121.628, 119.741
Unit cell angles	90.00, 118.74, 90.00

Refinement procedure

Resolution	48.213 - 2.050
R-factor	0.1983
Rwork	0.196
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iwx
RMSD bond length	0.008
RMSD bond angle	1.067
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.073	0.046	0.550
Rmeas	0.080	0.050	0.629
Rpim	0.033	0.020	0.299
Total number of observations	875207
Number of reflections	164792	16929	16418
<I/σ(I)>	7.2
Completeness [%]	98.7	99.9	98.8
Redundancy	5.3	6.4	4.1
CC(1/2)		0.998	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	100 mM Bis-Tris propane (pH 7.0), 210 mM Na2SO4, and 16% PEG3350