3V9O

Crystal structure of Dihydroneopterin aldolase (BTH_I0291) from Burkholderia thailendensis bound to guanine.

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	2011-12-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97740
Spacegroup name	I 4 2 2
Unit cell lengths	73.984, 73.984, 110.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.064 - 1.451
R-factor	0.1752
Rwork	0.174
R-free	0.20440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o1k
RMSD bond length	0.019
RMSD bond angle	1.812
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.480
High resolution limit [Å]	1.450	3.940	1.450
Rmerge	0.061	0.042	0.559
Number of reflections	27570
<I/σ(I)>	13.5
Completeness [%]	99.9	98.9	100
Redundancy	14.1	13.3	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	2 M ammonium sulfate, 0.2 M lithium sulfate, 0.1 M TRIS, SSGCID: ButhA.17925.a.A1 PW33456, VAPOR DIFFUSION, SITTING DROP, temperature 289K, pH 7.0