2WVA

Structural insights into the pre-reaction state of pyruvate decarboxylase from Zymomonas mobilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-20
Detector	ADSC CCD
Spacegroup name	P 1
Unit cell lengths	70.619, 111.585, 167.432
Unit cell angles	89.82, 90.11, 78.94

Refinement procedure

Resolution	34.650 - 2.200
R-factor	0.195
Rwork	0.194
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zpd
RMSD bond length	0.009
RMSD bond angle	1.021
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.150	0.880
Number of reflections	214702
<I/σ(I)>	11.5	2
Completeness [%]	95.0	91
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5		CO-CRYSTALLISATION USING VAPOUR DIFFUSION METHODS. A RESERVIOR CONTAINING POTASSIUM CHLORIDE 0.2 M, PEG3350 17% W/V AND XYLITOL 3 OR 1.5% W/V, PH 7.5