6DZD

Crystal structure of Bacillus licheniformis hypothetical protein YfiH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-30
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.567, 69.464, 179.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.940 - 2.660
R-factor	0.2161
Rwork	0.214
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t8h
RMSD bond length	0.008
RMSD bond angle	1.016
Data reduction software	SAINT
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.940	2.790
High resolution limit [Å]	2.660	2.660
Rmerge	0.247	0.573
Rmeas	0.297	0.727
Rpim	0.163	0.441
Number of reflections	16046	2073
<I/σ(I)>	4.5	1.5
Completeness [%]	99.9	100
Redundancy	5.9	4.9
CC(1/2)	0.951	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	291.15	200 mM calcium chloride, 100 mM Tris-HCl pH 8.5 and 20% PEG 4000