7KAE

Rop protein variant with a buried tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	36.881, 40.016, 72.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 1.600
R-factor	0.1956
Rwork	0.194
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rop
RMSD bond length	0.014
RMSD bond angle	1.936
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.140	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.041
Rmeas	0.044	0.243
Rpim	0.016
Number of reflections	14720	690
<I/σ(I)>	14.7
Completeness [%]	96.8
Redundancy	7.3
CC(1/2)	0.999	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	295	28% (w/v) PEG 400, 300 mM NaCl, 100 mM NaHEPES