3FF2

Crystal structure of an uncharacterized cystatin fold protein (saro_2299) from novosphingobium aromaticivorans dsm at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97870,0.97814
Spacegroup name	P 43 21 2
Unit cell lengths	47.860, 47.860, 160.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.571 - 1.900
R-factor	0.189
Rwork	0.187
R-free	0.23000
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.512
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.4.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.571	28.581	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.089	0.037	0.585
Total number of observations		1055	6999
Number of reflections	15445
<I/σ(I)>	5.652	16.8	1.3
Completeness [%]	99.4	93.3	100
Redundancy	6.1	4.9	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	0.2000M NH4OAc, 30.0000% PEG-4000, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K