6B6A

Beta-Lactamase, 2secs timepoint, mixed, 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	77.850, 95.310, 111.870
Unit cell angles	90.00, 109.82, 90.00

Refinement procedure

Resolution	43.412 - 2.298
R-factor	0.2421
Rwork	0.241
R-free	0.26670
RMSD bond length	0.009
RMSD bond angle	1.709
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]	50.000	2.330
High resolution limit [Å]	2.300	2.300
Number of reflections	65076
<I/σ(I)>	5.4	1.1
Completeness [%]	100.0	100
Redundancy	329.82	59
CC(1/2)		0.354

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		300	Ammonium phosphate