4JHB

Crystal structure of RelB double mutants: Y300F/I335F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	200
Detector technology	CCD
Collection date	2011-07-02
Detector	AGILENT ATLAS CCD
Spacegroup name	P 31 2 1
Unit cell lengths	65.230, 65.230, 65.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.450 - 2.440
R-factor	0.195
Rwork	0.195
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zk9
RMSD bond length	0.019
RMSD bond angle	1.800
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.760	2.490
High resolution limit [Å]	2.440	2.700	2.440
Rmerge	0.087	0.279	0.657
Number of reflections	5543
<I/σ(I)>	12.4	7.2	2.8
Completeness [%]	88.8	99	100
Redundancy	4.4	4.7	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	30% PEG4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K