2GJG

CRYSTAL STRUCTURE OF A PILZ-CONTAINING PROTEIN (PP4397) FROM PSEUDOMONAS PUTIDA KT2440 AT 2.25 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97941, 0.97879, 0.91162
Spacegroup name	C 1 2 1
Unit cell lengths	89.224, 48.819, 57.476
Unit cell angles	90.00, 93.41, 90.00

Refinement procedure

Resolution	28.690 - 2.250
R-factor	0.20976
Rwork	0.206
R-free	0.27500
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.501
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.690	28.690	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.061	0.023	0.300
Number of reflections	11812
<I/σ(I)>	8.8	27.7	1.2
Completeness [%]	99.4
Redundancy	3	2.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	277	35.0% 2-propanol, 5.0% PEG-1000, 0.1M Citrate pH 5.5 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K