6IME

Rv2361c complex with substrate analogues

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-03
Detector	RAYONIX MX300HE
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	77.711, 89.120, 94.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.411 - 1.550
R-factor	0.1458
Rwork	0.145
R-free	0.16700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4onc
RMSD bond length	0.013
RMSD bond angle	1.347
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.036	0.429
Rpim	0.016	0.186
Number of reflections	95419	9410
<I/σ(I)>	48.7	4.8
Completeness [%]	99.9	100
Redundancy	6.3	6.3
CC(1/2)	0.996	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1M HEPES, 10% GLYCEROL, 25% PEG 400, 7% PEG 3000, 1mM ISPP, 1mM GSPP