6V4W

The crystal structure of a beta-lactamase from Chitinophaga pinensis DSM 2588

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	75.702, 76.313, 89.376
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.480 - 1.290
R-factor	0.1619
Rwork	0.161
R-free	0.18630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g58
RMSD bond length	0.005
RMSD bond angle	0.847
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.300
High resolution limit [Å]	1.280	1.280
Rmerge	0.099	0.771
Rmeas	0.121	0.961
Rpim	0.067	0.563
Number of reflections	127393	6253
<I/σ(I)>	23.1	1.1
Completeness [%]	97.7	97.2
Redundancy	3	2.5
CC(1/2)		0.457

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	296	0.2 M Magnesium Chloride, 0.1 M MES:NaOH, 25% (w/v) PEG 4000