6I30

Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C

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	2016-12-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	45.040, 75.340, 100.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.962 - 2.210
R-factor	0.2229
Rwork	0.221
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wyy
RMSD bond length	0.003
RMSD bond angle	0.588
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	21.962	21.962	2.270
High resolution limit [Å]	2.210	9.880	2.210
Rmerge	0.183	0.032	0.774
Rmeas	0.197	0.034	0.836
Number of reflections	17758	349	2476
<I/σ(I)>	9.39	39.12	2.64
Completeness [%]	99.8	90.9	100
Redundancy	6.99	7.189	6.981
CC(1/2)	0.995	0.999	0.394

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.2 M Zinc acetate dihydrate, 0.1 M Imidazole pH = 8.0 20 % w/v PEG 3000