5IBX

1.65 Angstrom Crystal Structure of Triosephosphate Isomerase (TIM) from Streptococcus pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	78.845, 84.351, 92.463
Unit cell angles	75.43, 65.97, 62.03

Refinement procedure

Resolution	29.690 - 1.650
R-factor	0.19796
Rwork	0.196
R-free	0.23154
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m9y
RMSD bond length	0.011
RMSD bond angle	1.458
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.083	0.622
Number of reflections	225519
<I/σ(I)>	14.8	2.3
Completeness [%]	97.1	95.5
Redundancy	3.9	3.9
CC(1/2)	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	Protein: 7.5mg/ml, 0.25M Sodium chloride, 0.01 M Tris-HCL buffer pH(8.3), 5mM BME; Screen: Classics II(F12), 0.2M Sodium chloride, 0.1M HEPES (pH 7.5), 25%(w/v) PEG 3350.