4HW6

Crystal structure of an auxiliary nutrient binding protein (BACOVA_00264) from Bacteroides ovatus ATCC 8483 at 1.70 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	2012-09-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918401, 0.979338
Spacegroup name	P 1 21 1
Unit cell lengths	104.294, 81.554, 128.532
Unit cell angles	90.00, 108.60, 90.00

Refinement procedure

Resolution	29.894 - 1.700
R-factor	0.1507
Rwork	0.149
R-free	0.17890
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.299
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SOLVE
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.894	29.894	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge		0.037	0.959
Total number of observations		9609	61439
Number of reflections	224161
<I/σ(I)>	8.9	16.7	0.7
Completeness [%]	99.9	98.3	99.8
Redundancy	3.7	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	2.0M magnesium chloride, 0.1M Sodium Iodide, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K