2NLV

CRYSTAL STRUCTURE OF A XISI-LIKE PROTEIN (AVA_3825) FROM ANABAENA VARIABILIS ATCC 29413 AT 1.30 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-13
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000, 0.9795, 0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	46.779, 37.354, 63.453
Unit cell angles	90.00, 97.22, 90.00

Refinement procedure

Resolution	29.099 - 1.300
R-factor	0.176
Rwork	0.175
R-free	0.19500
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.758
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.099	29.100	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.062	0.029	0.618
Total number of observations		2252	13820
Number of reflections	52812
<I/σ(I)>	7.9	15.1	1.2
Completeness [%]	98.2	98.6	96.3
Redundancy	3.6	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	277	1.0M LiCl, 20.0% PEG-6000, 0.1M TRIS, pH 8.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K