2B8N

Crystal structure of Glycerate kinase (EC 2.7.1.31) (tm1585) from THERMOTOGA MARITIMA at 2.70 A resolution

Replaces:  1O0U

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.904965, 0.979126
Spacegroup name	P 21 21 21
Unit cell lengths	61.954, 85.169, 172.507
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.110 - 2.530
R-factor	0.1848
Rwork	0.182
R-free	0.24600
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.379
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.110	48.110	2.610
High resolution limit [Å]	2.520	5.400	2.520
Rmerge	0.072	0.315	0.234
Number of reflections	26442	5685	1787
<I/σ(I)>	7.71	12.96	2.59
Completeness [%]	75.1
Redundancy	2.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	9	293	65% MPD, 0.1M bicine pH 9.0 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K