4O6Z

Crystal structure of serine hydroxymethyltransferase with covalently bound PLP Schiff-base from Plasmodium falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	254.947, 254.947, 61.399
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.850 - 2.980
R-factor	0.22831
Rwork	0.224
R-free	0.26959
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dfo
RMSD bond length	0.011
RMSD bond angle	1.536
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.090
High resolution limit [Å]	2.980	6.400	2.980
Rmerge	0.052	0.032	0.206
Number of reflections	47100
<I/σ(I)>	32.6	31.79	10.16
Completeness [%]	99.8	99.9	99.2
Redundancy	8	7.6	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	MES, PEG 4000, MgCl2, pH 6.5, Microbatch, temperature 293K