6Z3N

Apo Structure of a Hydrolase from Pseudomonas aeruginosa PAO1

This is a non-PDB format compatible entry.

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	2019-12-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	85.310, 85.900, 122.640
Unit cell angles	90.00, 102.34, 90.00

Refinement procedure

Resolution	59.900 - 1.580
Rwork	0.137
R-free	0.20040
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.676
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.900	1.610
High resolution limit [Å]	1.580	1.580
Number of reflections	95945	1474
<I/σ(I)>	23.2
Completeness [%]	81.3
Redundancy	5.9
CC(1/2)	0.999	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	12 mg/mL of PaSpo2 protein stock in the buffer of 25 mM Tris pH 8.0, 200 mM NaCl, and 10 mM MgCl2 is mixed 1:1 ratio with the precipitant consisted of 4.0 M NH4OAc, 0.1 M Bis-Tris propane, pH 7.0