6IQQ

Crystal structure of Prc with S452I and L252Y mutations in complex with NlpI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	110
Detector technology	CCD
Collection date	2017-10-25
Detector	RAYONIX MX300HE
Wavelength(s)	0.99984
Spacegroup name	P 21 21 21
Unit cell lengths	118.936, 143.882, 153.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.980 - 2.800
R-factor	0.22442
Rwork	0.222
R-free	0.27769
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wql
RMSD bond length	0.012
RMSD bond angle	1.888
Data reduction software	HKL-2000 (V712)
Data scaling software	HKL-2000 (V712)
Phasing software	PHASER (2.7.0)
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.102	0.615
Rmeas	0.154	0.748
Rpim	0.055	0.263
Number of reflections	64129	6401
<I/σ(I)>	13.92	3.3
Completeness [%]	98.3	99.4
Redundancy	7.9	6.9
CC(1/2)		0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	PEG3350, Calcium acetate, Imidazole