2NVM

Crystal structure of fdxN element excision controlling factor XisI (YP_321976.1) from Anabaena Variabilis ATCC 29413 at 2.19 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 61 2 2
Unit cell lengths	122.440, 122.440, 77.076
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	77.152 - 2.190
R-factor	0.203
Rwork	0.201
R-free	0.24400
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.895
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.380	106.000	2.310
High resolution limit [Å]	2.100	6.930	2.190
Rmerge	0.107	0.014	1.375
Total number of observations		6241	27353
Number of reflections	18064
<I/σ(I)>	12.4	16.4	1.8
Completeness [%]	100.0	99.9	100
Redundancy	10.4	9.2	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	6	277	30.0% PEG-6000, 0.1M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K