6B68

Beta-Lactamase, 100ms 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	78.700, 96.030, 113.060
Unit cell angles	90.00, 109.87, 90.00

Refinement procedure

Resolution	19.524 - 2.150
R-factor	0.2062
Rwork	0.204
R-free	0.23940
RMSD bond length	0.008
RMSD bond angle	1.623
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]	19.524	2.170
High resolution limit [Å]	2.150	2.150
Number of reflections	76395
<I/σ(I)>	7.1	1
Completeness [%]	100.0	100
Redundancy	894.63	58.8
CC(1/2)		0.375

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		300	Ammonium Phosphate