2HK8

Crystal structure of shikimate dehydrogenase from aquifex aeolicus at 2.35 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-09
Detector	ADSC QUANTUM 4
Wavelength(s)	1.05517
Spacegroup name	P 1
Unit cell lengths	37.361, 73.960, 192.107
Unit cell angles	94.64, 94.16, 91.81

Refinement procedure

Resolution	28.400 - 2.350
R-factor	0.214
Rwork	0.214
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hk7
RMSD bond length	0.008
RMSD bond angle	1.300
Phasing software	PHASER
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.053	0.275
Number of reflections	74160
<I/σ(I)>	12.1	2.4
Completeness [%]	87.2	44.8
Redundancy	2	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	12% PEG20K, 0.1M MES (pH 6.4-6.6), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K