4Z8D

Antibacterial FabH Inhibitors with Validated Mode of Action in Haemophilus Influenzae by in vitro resistance mutation mapping

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	63.370, 79.496, 120.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.740 - 2.000
R-factor	0.1607
Rwork	0.158
R-free	0.21510
RMSD bond length	0.016
RMSD bond angle	1.709
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall
Low resolution limit [Å]	28.050
High resolution limit [Å]	2.000
Number of reflections	34795
<I/σ(I)>	14.5
Completeness [%]	84.1
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		283	25 mM Tris pH 7.5, 150 mM NaCl, 10% Glycerol, 1mM TCEP