6KNT

Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group P4332)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-27
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 43 3 2
Unit cell lengths	202.754, 202.754, 202.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.192
Rwork	0.190
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 6KNS
RMSD bond length	0.013
RMSD bond angle	1.316
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.082	0.528
Number of reflections	49583	4859
<I/σ(I)>	30.8	4.5
Completeness [%]	99.8	99.9
Redundancy	8	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	ammonium sulfate, Hepes