6B6C

Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms

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	2016-09-09
Detector	CS-PAD CXI-1
Wavelength(s)	1.3
Spacegroup name	P 1 21 1
Unit cell lengths	39.530, 41.590, 69.360
Unit cell angles	90.00, 104.81, 90.00

Refinement procedure

Resolution	19.108 - 1.900
R-factor	0.2102
Rwork	0.207
R-free	0.26240
RMSD bond length	0.007
RMSD bond angle	1.566
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]	19.108	2.000
High resolution limit [Å]	1.900	1.900
Number of reflections	16222
<I/σ(I)>	12.2	0.8
Completeness [%]	100.0	100
Redundancy	329.8	26.8
CC(1/2)	0.994	0.404

Crystallization Conditions

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