6B5X

Beta-Lactamase, unmixed 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	79.040, 97.190, 110.620
Unit cell angles	90.00, 108.71, 90.00

Refinement procedure

Resolution	19.979 - 2.450
R-factor	0.1963
Rwork	0.194
R-free	0.24400
RMSD bond length	0.009
RMSD bond angle	1.101
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]	20.000	2.490
High resolution limit [Å]	2.450	2.450
Number of reflections	52485
<I/σ(I)>	8.9	2.4
Completeness [%]	100.0	100
Redundancy	1220.89	103.3
CC(1/2)		0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		300	Ammonium Phosphate