3MCU

Crystal structure of the dipicolinate synthase chain B from Bacillus cereus. Northeast Structural Genomics Consortium Target BcR215.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	77.082, 129.257, 132.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.253 - 2.303
R-factor	0.1987
Rwork	0.196
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lqk
RMSD bond length	0.008
RMSD bond angle	1.114
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.097	0.405
Number of reflections	106354
<I/σ(I)>	19.7	2.95
Completeness [%]	94.3	89.6
Redundancy	6.3	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	291	14% PEG 20000, 0.06M potassium phosphate, 0.1M sodium citrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K