3ZTP

Orthorhombic crystal form P21212 of the Aquifex aeolicus nucleoside diphosphate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-06
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 2
Unit cell lengths	52.180, 95.120, 61.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.313 - 1.370
R-factor	0.1454
Rwork	0.144
R-free	0.16160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zto
RMSD bond length	0.010
RMSD bond angle	1.325
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.310	1.430
High resolution limit [Å]	1.370	1.370
Rmerge	0.060	0.310
Number of reflections	65505
<I/σ(I)>	12.4	2.5
Completeness [%]	97.8	97.8
Redundancy	3.3	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		2.0 M AMMONIUM FORMATE, 0.1 M HEPES, PH 7.5