6DQL

Crystal structure of Regulator of Proteinase B RopB complexed with SIP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1158
Spacegroup name	P 32 1 2
Unit cell lengths	94.211, 94.211, 179.957
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.170 - 3.300
R-factor	0.23532
Rwork	0.234
R-free	0.26598
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dl2
RMSD bond length	0.009
RMSD bond angle	1.014
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.410
High resolution limit [Å]	3.300	3.300
Number of reflections	13969	13279
<I/σ(I)>	24.5
Completeness [%]	99.5
Redundancy	20
CC(1/2)	1.000	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	2.7 M potassium formate, 0.1 M Tris pH 7.3, 1% PEG2000, 0.15 M potassium chloride and 1 mM EDTA