5IQK

Rm3 metallo-beta-lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	45.880, 74.450, 77.460
Unit cell angles	90.00, 99.48, 90.00

Refinement procedure

Resolution	53.321 - 1.750
R-factor	0.2042
Rwork	0.203
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qdt
RMSD bond length	0.007
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.321	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.055	0.357
Number of reflections	50630
<I/σ(I)>	9.1	2.1
Completeness [%]	97.6	97.2
Redundancy	2.4	2.3
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	14% w/v PEG 8000, 0.1 M Tris, 0.15 M LiCl