3E0W

Crystal structure of pyruvate kinase from Leishmania mexicana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-01
Detector	ADSC QUANTUM 4
Spacegroup name	P 42 3 2
Unit cell lengths	184.551, 184.551, 184.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.260 - 3.100
Rwork	0.215
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pkl chain G
RMSD bond length	0.006
RMSD bond angle	1.052
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.300	3.270
High resolution limit [Å]	3.100	3.100
Rmerge	0.042	0.378
Number of reflections	19992
<I/σ(I)>	11.9	2.1
Completeness [%]	99.5
Redundancy	8	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	277	20% Saturated ammonium sulphate, 100mM Na citrate, pH 4.2 (soaked in 40% Saturated ammonium sulphate, 100mM NaCl, pH 4.2), VAPOR DIFFUSION, HANGING DROP, temperature 277K