6R01

Streptomyces lividans Ccsp mutant - H107A/H111A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	I 2 2 2
Unit cell lengths	62.158, 64.048, 65.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.650 - 1.180
R-factor	0.1692
Rwork	0.168
R-free	0.19150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ei0
RMSD bond length	0.008
RMSD bond angle	1.484
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.650	1.200
High resolution limit [Å]	1.180	1.180
Rmerge	0.056	1.059
Rmeas	0.060	1.206
Rpim	0.022	0.559
Number of reflections	42048	1551
<I/σ(I)>	18.6
Completeness [%]	96.9	73.1
Redundancy	7.1	4.1
CC(1/2)	0.998	0.504

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.6 M Ammonium sulfate, 0.1 M MES pH 6