5WOL

Crystal structure of dihydrodipicolinate reductase DapB from Coxiella burnetii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	I 2 2 2
Unit cell lengths	73.605, 78.795, 84.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.746 - 1.700
R-factor	0.1797
Rwork	0.178
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yl5
RMSD bond length	0.013
RMSD bond angle	1.270
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP (SIMBAD)
Refinement software	PHENIX ((dev_2733: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.039	0.706
Rpim	0.016	0.333
Number of reflections	27235	1309
<I/σ(I)>	44.96	1.95
Completeness [%]	99.8	98.5
Redundancy	7.1	5.2
CC(1/2)		0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	2 M ammonium sulfate, 2% (w/v) PEG400, 0.1 M HEPES pH 7.5