6MQ0

B. pseudomallei KatG crystallized in the presence of furoyl hydrazide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	100.460, 115.430, 174.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.209 - 1.900
R-factor	0.1461
Rwork	0.145
R-free	0.17390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 1MWV
RMSD bond length	0.011
RMSD bond angle	1.530
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.209	35.209	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.040	0.480
Rmeas	0.109	0.045	0.537
Rpim	0.047	0.020	0.239
Total number of observations	838108
Number of reflections	159840	5407	23107
<I/σ(I)>	11	14.3	1.5
Completeness [%]	99.9	99.5	99.9
Redundancy	5.2	5.1	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	MPD, 0.1 M sodium citrate, 50 mM furoyl hydrazide