1CJX

CRYSTAL STRUCTURE OF PSEUDOMONAS FLUORESCENS HPPD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM02
Synchrotron site	ESRF
Beamline	BM02
Temperature [K]	100
Detector technology	CCD
Collection date	1996-06-01
Spacegroup name	P 21 21 21
Unit cell lengths	79.590, 142.750, 159.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.219 *
Rwork	0.219
R-free	0.27600
Structure solution method	SIRAS
RMSD bond length	0.008
RMSD bond angle	0.031
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.000
High resolution limit [Å]	2.400	2.400
Rmerge	0.080 *
Total number of observations	283368 *
Number of reflections	64393
<I/σ(I)>	41.67
Completeness [%]	93.2	86.7
Redundancy	4.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6		18-25 % PEG 4000 0.2 M AMMONIUM ACETATE, 0.1 M CITRATE, PH 5.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	18-25 (%)
2	1	reservoir	ammonium acetate	0.2 (M)
3	1	reservoir	trisodium citrate	0.1 (M)
4	1	drop	protein	10-13 (mg/ml)