6KXR

Crystal structure of wild type Alp1U from the biosynthesis of kinamycins

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97894
Spacegroup name	P 21 21 21
Unit cell lengths	97.090, 101.580, 117.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.187 - 2.451
R-factor	0.171747585964
Rwork	0.169
R-free	0.23445
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.109
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.190	2.538
High resolution limit [Å]	2.451	2.451
Rmerge	0.028	0.200
Number of reflections	43063	4255
<I/σ(I)>	13.73
Completeness [%]	99.3
Redundancy	2
CC(1/2)	0.998	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M MMT PH5.0, 25% PEG 1500