6MBH

GphF DH1 P1711L, L1744P variant: An isomerase-inactive variant of GphF DH1

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	CCD
Collection date	2015-08-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	34.906, 53.346, 147.084
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.182 - 1.700
R-factor	0.1783
Rwork	0.176
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kg9
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]	49.030	49.030	1.730
High resolution limit [Å]	1.700	8.970	1.700
Rmerge	0.085	0.051	0.948
Rmeas	0.093	0.057	1.104
Rpim	0.037	0.024	0.552
Total number of observations	177534	1398	3709
Number of reflections	30049	266	1053
<I/σ(I)>	10.6	24.8	1.1
Completeness [%]	95.4	99.2	63.5
Redundancy	5.9	5.3	3.5
CC(1/2)	0.998	0.997	0.490

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, 0.1 M Hepes pH 7.3