5TWK

Crystal Structure of RlmH in Complex with Sinefungin

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	2013-11-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	66.370, 37.950, 121.820
Unit cell angles	90.00, 105.74, 90.00

Refinement procedure

Resolution	39.084 - 2.100
R-factor	0.1861
Rwork	0.183
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ns5
RMSD bond length	0.013
RMSD bond angle	1.274
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.100	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.068	0.886
Number of reflections	34496	3405
<I/σ(I)>	17.66	1.95
Completeness [%]	99.2	93.52
Redundancy	5.6	5.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.1 M Tris-bicine buffer (pH 8.5), 0.09 M NaF, 0.09 M NaBr, 0.09 M NaI, 20% v/v PEG 550 MME, 10% w/v PEG 20,000 in the presence of 2 mM Sinefungin