4R6H

Crystal structure of putative binding protein msme from bacillus subtilis subsp. subtilis str. 168, target efi-510764, an open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-28
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	55.736, 61.920, 114.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.350 - 1.500
R-factor	0.16898
Rwork	0.168
R-free	0.20501
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.501
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.350	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.064	0.850
Number of reflections	63410
<I/σ(I)>	25.9	2
Completeness [%]	98.4	100
Redundancy	6	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	294	PROTEIN: 10 MM BIS-TRIS, 500 MM NACL, 5% GLYCEROL, 5 MM DTT; RESERVOIR: 1.0 M LITHIUM CHLORIDE, 0.1 M SODIUM CITRATE:HCL, PH 4.0, 20% PEG6000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K