6NRE

Monomeric Lipocalin Can F 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 31 2 1
Unit cell lengths	67.154, 67.154, 72.488
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.160 - 2.060
R-factor	0.223
Rwork	0.221
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.672
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.490	2.110
High resolution limit [Å]	2.060	2.060
Rmerge	0.051	0.412
Rmeas	0.052	0.457
Rpim	0.012	0.194
Total number of observations	69256	5492
Number of reflections	12122	872
<I/σ(I)>	38.8	0.1
Completeness [%]	99.4	93
Redundancy	17	4.9
CC(1/2)	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	2-propanol, sodium acetate, polyethylene glycol ether 550