4HFS

Crystal structure of an uncharacterized protein (yncM) from Bacillus subtilis subsp. subtilis str. 168 at 1.55 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2012-09-19
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 2 1
Unit cell lengths	43.000, 42.710, 119.710
Unit cell angles	90.00, 97.62, 90.00

Refinement procedure

Resolution	38.520 - 1.550
R-factor	0.1929
Rwork	0.192
R-free	0.21640
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.500	38.519	1.630
High resolution limit [Å]	1.550	4.900	1.550
Rmerge		0.060	0.553
Total number of observations		7006	30171
Number of reflections	62880
<I/σ(I)>	8	16.3	2.2
Completeness [%]	99.9	99.3	100
Redundancy	3.3	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.20M ammonium sulfate, 30.00% polyethylene glycol 4000, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K