5LZL

Pyrobaculum calidifontis 5-aminolaevulinic acid dehydratase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.04
Spacegroup name	P 31 2 1
Unit cell lengths	205.561, 205.561, 199.171
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	178.020 - 3.470
R-factor	0.1528
Rwork	0.148
R-free	0.25002
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b4e
RMSD bond length	0.013
RMSD bond angle	1.884
Data reduction software	MOSFLM (5.8.0107)
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	178.020	3.600
High resolution limit [Å]	3.470	3.470
Rmerge	0.118	0.548
Number of reflections	63352
<I/σ(I)>	14.7	4.8
Completeness [%]	100.0	100
Redundancy	9.8	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	Protein buffer was 10 mM Tris-HCl pH 8.0. Protein concentration 5 mg/ml. It was crystallised in the presence of 1 mM levulinic acid with 0.1 M HEPES pH 7.5, 10 % isopropanol and 20 % polyethylene glycol (PEG) 4000 in the well solution.