3TSM

Crystal structure of Indole-3-glycerol phosphate synthase from Brucella melitensis

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	2011-09-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9774
Spacegroup name	P 21 21 21
Unit cell lengths	71.800, 73.290, 118.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.185
Rwork	0.183
R-free	0.22800
Structure solution method	MR
Starting model (for MR)	1pii
RMSD bond length	0.012
RMSD bond angle	1.524
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.109	0.047	0.469
Number of reflections	34823	452	2537
<I/σ(I)>	13.57	30.3	4.2
Completeness [%]	99.9	99.1	100
Redundancy	7.3		7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	Internal tracking number 223543D9. Crystallant (JCSG D9): 25.5% PEG 4000, 15% glycerol, 170 mM Ammonium Sulfate. Protein: BrabA.17351.a.A1 PS01096 at 63 mg/ml in a buffer consisting of 25 mM HEPES, 300-500 mM NaCl, 2 mM DTT, 0.025% sodium azide, 5% glycerol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K