6B6D

Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	300
Detector technology	PIXEL
Collection date	2016-09-10
Detector	CS-PAD CXI-1
Wavelength(s)	1.3
Spacegroup name	P 1 21 1
Unit cell lengths	39.630, 41.650, 69.350
Unit cell angles	90.00, 104.93, 90.00

Refinement procedure

Resolution	19.807 - 1.800
R-factor	0.243
Rwork	0.242
R-free	0.26790
RMSD bond length	0.003
RMSD bond angle	1.478
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.807	1.890
High resolution limit [Å]	1.800	1.800
Number of reflections	18648
<I/σ(I)>	9.6	1.6
Completeness [%]	100.0	100
Redundancy	831.3	89
CC(1/2)	0.997	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	free interface diffustion		293	0.1 M sodium acetate pH 5.0, 45% PEG 1000