7DA9

Structure of 6-hydroxy-3-succinoyl-pyridine 3-monooxygenase (HspB) from Pseudomonas putida S16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	67.417, 83.779, 79.560
Unit cell angles	90.00, 114.95, 90.00

Refinement procedure

Resolution	30.563 - 2.108
R-factor	0.1833
Rwork	0.181
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ain
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	45977	2290
<I/σ(I)>	21.13
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.993	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	25% PEG4000, 0.1 mol/L Bis-Tris pH 8.0, 0.2 mol/L MgCl2