6B69

Beta-Lactamase, 500ms 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	78.860, 96.310, 113.560
Unit cell angles	90.00, 109.98, 90.00

Refinement procedure

Resolution	20.253 - 2.200
R-factor	0.2424
Rwork	0.241
R-free	0.26280
RMSD bond length	0.003
RMSD bond angle	1.417
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]	20.250	2.230
High resolution limit [Å]	2.200	2.200
Number of reflections	72804
<I/σ(I)>	8.3	0.9
Completeness [%]	100.0	100
Redundancy	1363.04	81.3
CC(1/2)		0.310

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		300	Ammonium Phosphate