1KV5

Structure of Trypanosoma brucei brucei TIM with the salt-bridge-forming residue Arg191 mutated to Ser

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-27
Detector	MARRESEARCH
Wavelength(s)	0.8500
Spacegroup name	P 21 21 21
Unit cell lengths	44.943, 100.638, 109.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.650
R-factor	0.143 *
Rwork	0.143
R-free	0.17500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tim
RMSD bond length	0.013
RMSD bond angle	1.770 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.031	0.253
Total number of observations	245458 *
Number of reflections	60451 *
<I/σ(I)>	37.7	5.4
Completeness [%]	99.9	99.3
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	ammonium sulfate, sodium chloride, citric acid, pH 5.5, VAPOR DIFFUSION, HANGING DROP at 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2 (M)
2	1	reservoir	citric acid	0.1 (M)	pH5.5
3	1	reservoir		0.2 (M)
4	1	drop	protein	3 (mg/ml)
5	1	drop	PGA	10 (mM)