1RL4

Plasmodium falciparum peptide deformylase complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 65
Unit cell lengths	102.317, 102.317, 118.339
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.180
R-factor	0.19806
Rwork	0.197
R-free	0.21400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jym
RMSD bond length	0.010
RMSD bond angle	1.315 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.600	2.300
High resolution limit [Å]	2.180	2.180
Rmerge	0.111 *	0.714 *
Total number of observations	230882 *
Number of reflections	36742
<I/σ(I)>	11.4	2.6
Completeness [%]	99.9	100
Redundancy	6.3	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6 *	294	sodium monobasic phosphate, potassium dibasic phosphate, lithium sulfate, CAPS, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	20 (mM)	pH6.0
2	1	drop		10 (mM)
3	1	drop	protein	6.8 (mg/ml)
4	1	reservoir		1.2 (M)
5	1	reservoir		0.8 (M)
6	1	reservoir		0.2 (M)
7	1	reservoir	CAPS	0.1 (M)	pH6.1