2HKE

Mevalonate diphosphate decarboxylase from Trypanosoma brucei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.939
Spacegroup name	P 1 21 1
Unit cell lengths	51.463, 168.666, 54.850
Unit cell angles	90.00, 118.78, 90.00

Refinement procedure

Resolution	42.180 - 1.800
R-factor	0.168
Rwork	0.166
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fi4
RMSD bond length	0.016
RMSD bond angle	1.558
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.180	42.170	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.106	0.092	0.658
Total number of observations		13689	62870
Number of reflections	74805
<I/σ(I)>	4.3	6.5	1.1
Completeness [%]	99.0	98.6	98
Redundancy	6.1	5.7	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	22% PEG 8000, 180mM ammonium sulfate, 100mM sodium cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K