6KKP

The crystal structure of apo-SiaC from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	35.627, 72.057, 96.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.2108
Rwork	0.209
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kko
RMSD bond length	0.007
RMSD bond angle	1.164
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	4479	415
<I/σ(I)>	15.4	4.5
Completeness [%]	98.5
Redundancy	6.4
CC(1/2)	0.971	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.4M NaH2PO4/1.6M K2HPO4, 0.1M imidazole PH 8.0, 0.2M NaCl