2FQP

Crystal structure of a cupin domain (bp2299) from bordetella pertussis tohama i at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-11
Detector	ADSC QUANTUM 210
Wavelength(s)	1.019867, 0.979741
Spacegroup name	P 1 21 1
Unit cell lengths	35.919, 92.651, 53.058
Unit cell angles	90.00, 106.40, 90.00

Refinement procedure

Resolution	19.000 - 1.800
R-factor	0.156
Rwork	0.154
R-free	0.20200
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.538
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]	19.000	19.000	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.064	0.036	0.302
Number of reflections	27712
<I/σ(I)>	11.2	25.46	2.24
Completeness [%]	90.3
Redundancy	4.1	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	8.5	277	0.2M NaOAc, 30.0% PEG-4000, 0.1M TRIS pH 8.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K