1WW8

Crystal Structure of malic enzyme from Pyrococcus horikoshii Ot3

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-10-23
Detector	RIGAKU RAXIS
Wavelength(s)	0.979059, 0.979418, 1.0
Spacegroup name	P 21 21 21
Unit cell lengths	57.457, 85.681, 172.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.19
Rwork	0.190
R-free	0.24000
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.079
Number of reflections	29793
<I/σ(I)>	8.8
Completeness [%]	99.7	98.9
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.1	295	PEG 20K, Tris-HCl, pH 8.1, microbatch, temperature 295K