6B5Y

Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form

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	78.530, 96.030, 112.580
Unit cell angles	90.00, 109.68, 90.00

Refinement procedure

Resolution	19.340 - 2.750
R-factor	0.1959
Rwork	0.193
R-free	0.25060
RMSD bond length	0.010
RMSD bond angle	1.721
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]	19.340	2.810
High resolution limit [Å]	2.750	2.750
Number of reflections	38561
<I/σ(I)>	6.4	0.9
Completeness [%]	100.0
Redundancy	526.16	142
CC(1/2)	0.345

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		300	Ammonium Phosphate