5WYD

Structural of Pseudomonas aeruginosa DspI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97022
Spacegroup name	P 31
Unit cell lengths	83.309, 83.309, 207.547
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.657 - 2.101
R-factor	0.2303
Rwork	0.227
R-free	0.27620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5WYC
RMSD bond length	0.012
RMSD bond angle	1.375
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1-2155_1692: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	90344	4323
<I/σ(I)>	15.44	1.9
Completeness [%]	96.2	92.1
Redundancy	5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.5M (NH4)2SO4, 0.1M CH3COONa pH 4.5