6XGS

Crystal Structure of Dihydrodipicolinate synthase (DHDPS) from Brucella suis 1330

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97740
Spacegroup name	P 32
Unit cell lengths	86.650, 86.650, 142.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.330 - 2.200
R-factor	0.1357
Rwork	0.135
R-free	0.16200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i7u as per MORDA
RMSD bond length	0.011
RMSD bond angle	1.625
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.330	43.330	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.125	0.033	0.566
Rmeas	0.141	0.037	0.639
Total number of observations	280045
Number of reflections	60445	675	4443
<I/σ(I)>	11.74	38.95	2.64
Completeness [%]	99.1	98.5	98.2
Redundancy	4.633	4.567	4.626
CC(1/2)	0.993	0.998	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	Qiagen JCSG Core-1 screen, f12: 40% (V/V) MPD, 100mM sodium phosphate dibasic / citric acid pH 4.2: BrsuA.01563.a.A1.PW34594; tray 231309f12, cryo, 20%EG, puck atd2-7