1VL6

Crystal structure of NAD-dependent malic enzyme (TM0542) from Thermotoga maritima at 2.61 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-25
Detector	ADSC
Spacegroup name	P 65
Unit cell lengths	143.963, 143.963, 163.428
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.120 - 2.610
R-factor	0.1938
Rwork	0.192
R-free	0.23929
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.658
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.120	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.054	0.551
Number of reflections	57871
<I/σ(I)>	16.77	1.84
Completeness [%]	98.8	96.26
Redundancy	3.26	2.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	0.025M Citric Acid, 0.075M Citrate_Na3, 6.00% NP_Peg 6000 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	0.025M Citric Acid, 0.075M Citrate_Na3, 6.00% NP_Peg 6000 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	0.025M Citric Acid, 0.075M Citrate_Na3, 6.00% NP_Peg 6000 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K