6MQV

Structure of HEWL from LCP injector using synchrotron radiation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	78.680, 78.680, 38.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.640 - 2.000
R-factor	0.198
Rwork	0.195
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bwh
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.640	2.200
High resolution limit [Å]	2.000	2.000
Number of reflections	8582	203
<I/σ(I)>	5.242711	1.44
Completeness [%]	100.0	99.9
Redundancy	88.966	61.4
CC(1/2)	0.975	0.326

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.8	293	1.5M lithium chloride, 0.2M sodium acetate, 40% polyethelyene glycol 6,000