6MBF

GphF Dehydratase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	41.900, 74.418, 86.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.418 - 1.543
R-factor	0.1854
Rwork	0.183
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mbg
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.420	43.420	1.570
High resolution limit [Å]	1.540	8.450	1.540
Rmerge	0.046	0.030	0.513
Rmeas	0.050	0.033	0.650
Rpim	0.020	0.014	0.391
Total number of observations	209788	1676	2642
Number of reflections	37735	306	1156
<I/σ(I)>	22.9	67.9	1.7
Completeness [%]	92.6	99.2	59.3
Redundancy	5.6	5.5	2.3
CC(1/2)	0.999	0.999	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293.15	0.1 M trisodium citrate, 20% PEG 4000, 22% 1,4-butanediol, 100 mM Hepes pH 7.3